Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520615003297/eb5037sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520615003297/eb5037m71sup2.fcf | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520615003297/eb5037IGCNsup3.fcf | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520615003297/eb5037IGEsup4.fcf | |
Portable Document Format (PDF) file https://doi.org/10.1107/S2052520615003297/eb5037sup5.pdf |
CCDC reference: 989380
Crystal data, data collection and structure refinement details are summarized in Table 1. Crystals of C14H15N4O4P were twins with several disoriented domains. The Cell_Now program (Bruker (2005)) indexing allowed decribing the twinning as superposition of two components that are rotated by approximately 179.9 degrees against each other. The H atoms of NH groups were located from Fourier difference maps and refined in isotropic appoximation with the NH distances constrained at 0.91 %A. The positions of H(C) atoms were calculated and refined within riging model, with the Uiso(H) parameters equal to 1.2 Ueq(Ci), where U(Ci) are the equivalent thermal parameters of the carbon atoms to which the corresponding H atoms are bonded The model of the best possible quality was obtained during the structure refinement using standard HKLF4 instruction (Fo2 data for only one domain); at that the weighting scheme was varied manually.
Crystal data, data collection and structure refinement details are summarized in Table 1. The H atoms of the NH and OH groups were localized in the difference Fourier-syntheses and refined isotropically. The H(C) atoms were placed in calculated positions and included in the refinement within riding model with fixed isotropic displacement parameters Uiso(H) = 1.2Ueq(C) and Uiso(H) = 1.5Ueq(C) for the methyl groups.
Crystal data, data collection and structure refinement details are summarized in Table 1. The H atoms of the NH and OH groups were localized in the difference Fourier-syntheses and refined isotropically. The H(C) atoms were placed in calculated positions and included in the refinement within riding model with fixed isotropic displacement parameters Uiso(H) = 1.2Ueq(C) and Uiso(H) = 1.5Ueq(C) for the methyl groups.
Data collection: Bruker APEX II for m71; APEX2 (Bruker, 2005) for IGCN, IGE. Cell refinement: Bruker SAINT for m71; SAINTPlus, v. 6.2 (Bruker, 2001) for IGCN, IGE. Data reduction: Bruker SAINT for m71; SAINTPlus, v. 6.2 (Bruker, 2001) for IGCN, IGE. Program(s) used to solve structure: SHELXS97 (Sheldrick, 1997) for m71; SHELXTL (Sheldrick, 2008) for IGCN, IGE. Program(s) used to refine structure: SHELXL97 (Sheldrick, 1997) for m71; SHELXTL (Sheldrick, 2008) for IGCN, IGE. Molecular graphics: Bruker SHELXTL for m71; SHELXTL (Sheldrick, 2008) for IGCN, IGE. Software used to prepare material for publication: Bruker SHELXTL for m71; SHELXTL (Sheldrick, 2008) for IGCN, IGE.
C14H15N4O4P | Z = 4 |
Mr = 334.27 | F(000) = 696 |
Triclinic, P1 | Dx = 1.469 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.2849 (19) Å | Cell parameters from 1098 reflections |
b = 10.835 (2) Å | θ = 3–28° |
c = 15.295 (3) Å | µ = 0.21 mm−1 |
α = 89.96 (4)° | T = 100 K |
β = 84.78 (3)° | Needle, colorless |
γ = 80.54 (2)° | 0.33 × 0.13 × 0.07 mm |
V = 1511.4 (5) Å3 |
Bruker APEX II CCD area detector diffractometer | 7171 independent reflections |
Radiation source: fine-focus sealed tube | 4896 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.065 |
ω scans | θmax = 28.0°, θmin = 1.3° |
Absorption correction: multi-scan TWINABS | h = −12→12 |
Tmin = 0.934, Tmax = 0.986 | k = −14→14 |
7171 measured reflections | l = 0→20 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.098 | Hydrogen site location: mixed |
wR(F2) = 0.195 | H-atom parameters constrained |
S = 1.09 | w = 1/[σ2(Fo2) + (0.010P)2 + 11.7247P] where P = (Fo2 + 2Fc2)/3 |
7171 reflections | (Δ/σ)max < 0.001 |
423 parameters | Δρmax = 1.16 e Å−3 |
12 restraints | Δρmin = −0.65 e Å−3 |
C14H15N4O4P | γ = 80.54 (2)° |
Mr = 334.27 | V = 1511.4 (5) Å3 |
Triclinic, P1 | Z = 4 |
a = 9.2849 (19) Å | Mo Kα radiation |
b = 10.835 (2) Å | µ = 0.21 mm−1 |
c = 15.295 (3) Å | T = 100 K |
α = 89.96 (4)° | 0.33 × 0.13 × 0.07 mm |
β = 84.78 (3)° |
Bruker APEX II CCD area detector diffractometer | 7171 independent reflections |
Absorption correction: multi-scan TWINABS | 4896 reflections with I > 2σ(I) |
Tmin = 0.934, Tmax = 0.986 | Rint = 0.065 |
7171 measured reflections |
R[F2 > 2σ(F2)] = 0.098 | 12 restraints |
wR(F2) = 0.195 | H-atom parameters constrained |
S = 1.09 | w = 1/[σ2(Fo2) + (0.010P)2 + 11.7247P] where P = (Fo2 + 2Fc2)/3 |
7171 reflections | Δρmax = 1.16 e Å−3 |
423 parameters | Δρmin = −0.65 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
P1 | 0.11291 (13) | 0.94793 (11) | 0.78152 (8) | 0.0110 (2) | |
P2 | 0.12521 (13) | 0.45070 (11) | 0.71535 (8) | 0.0113 (2) | |
O1 | 0.1509 (4) | 1.0574 (3) | 0.7323 (2) | 0.0148 (7) | |
O1A | 0.1527 (4) | 0.5625 (3) | 0.7612 (2) | 0.0151 (7) | |
O2 | 0.2331 (3) | 0.8756 (3) | 0.8384 (2) | 0.0141 (7) | |
O2A | 0.2579 (4) | 0.3794 (3) | 0.6539 (2) | 0.0154 (7) | |
O3 | −0.1734 (4) | 0.7672 (3) | 0.9800 (2) | 0.0193 (7) | |
O3A | −0.1791 (4) | 0.3037 (3) | 0.9516 (2) | 0.0163 (7) | |
O4 | −0.1429 (4) | 0.7990 (3) | 0.5553 (2) | 0.0165 (7) | |
O4A | −0.1702 (4) | 0.2642 (3) | 0.5575 (2) | 0.0178 (7) | |
N1 | −0.0242 (4) | 0.9941 (4) | 0.8531 (3) | 0.0142 (8) | |
H1N | −0.0484 | 1.0789 | 0.8552 | 0.038 (18)* | |
N1A | 0.0837 (4) | 0.3358 (3) | 0.7802 (2) | 0.0126 (8) | |
H1NA | 0.0968 | 0.2570 | 0.7571 | 0.033 (17)* | |
N2 | −0.0717 (5) | 0.8003 (4) | 0.9130 (3) | 0.0186 (9) | |
N2A | −0.0819 (4) | 0.2579 (4) | 0.8791 (3) | 0.0156 (8) | |
N3 | 0.0797 (4) | 0.8327 (3) | 0.7202 (2) | 0.0117 (8) | |
H3N | 0.0988 | 0.7536 | 0.7412 | 0.032 (17)* | |
N3A | −0.0032 (4) | 0.4925 (4) | 0.6504 (2) | 0.0131 (8) | |
H3NA | −0.0162 | 0.5758 | 0.6386 | 0.033 (17)* | |
N4 | −0.0504 (4) | 0.7523 (4) | 0.6191 (3) | 0.0151 (8) | |
N4A | −0.0664 (4) | 0.2979 (4) | 0.6119 (3) | 0.0146 (8) | |
C1 | −0.1008 (5) | 0.9232 (4) | 0.9104 (3) | 0.0140 (9) | |
C1A | −0.0217 (5) | 0.3537 (4) | 0.8502 (3) | 0.0127 (9) | |
C2 | −0.2159 (5) | 0.9740 (5) | 0.9727 (3) | 0.0178 (10) | |
H2A | −0.2555 | 1.0597 | 0.9835 | 0.021* | |
C2A | −0.0769 (5) | 0.4648 (4) | 0.8999 (3) | 0.0127 (9) | |
H2AA | −0.0528 | 0.5461 | 0.8913 | 0.015* | |
C3 | −0.2576 (5) | 0.8732 (5) | 1.0136 (3) | 0.0177 (10) | |
C3A | −0.1717 (5) | 0.4269 (4) | 0.9624 (3) | 0.0134 (9) | |
C4 | −0.3696 (6) | 0.8569 (5) | 1.0854 (3) | 0.0253 (12) | |
H4A | −0.4286 | 0.9384 | 1.1020 | 0.038* | |
H4B | −0.3215 | 0.8208 | 1.1361 | 0.038* | |
H4C | −0.4332 | 0.8008 | 1.0657 | 0.038* | |
C4A | −0.2644 (5) | 0.4900 (4) | 1.0382 (3) | 0.0168 (10) | |
H4AA | −0.2421 | 0.4439 | 1.0918 | 0.025* | |
H4AB | −0.3680 | 0.4924 | 1.0291 | 0.025* | |
H4AC | −0.2448 | 0.5756 | 1.0440 | 0.025* | |
C5 | −0.0129 (5) | 0.8509 (4) | 0.6547 (3) | 0.0118 (9) | |
C5A | −0.0817 (5) | 0.4207 (4) | 0.6049 (3) | 0.0125 (9) | |
C6 | −0.0790 (5) | 0.9645 (4) | 0.6176 (3) | 0.0148 (9) | |
H6A | −0.0693 | 1.0477 | 0.6324 | 0.018* | |
C6A | −0.1891 (5) | 0.4711 (4) | 0.5491 (3) | 0.0150 (9) | |
H6AA | −0.2188 | 0.5560 | 0.5343 | 0.018* | |
C7 | −0.1579 (5) | 0.9266 (4) | 0.5568 (3) | 0.0150 (9) | |
C7A | −0.2391 (5) | 0.3692 (4) | 0.5220 (3) | 0.0158 (10) | |
C8 | −0.2553 (6) | 0.9912 (5) | 0.4931 (3) | 0.0209 (11) | |
H8A | −0.2616 | 1.0820 | 0.4998 | 0.031* | |
H8B | −0.3534 | 0.9690 | 0.5044 | 0.031* | |
H8C | −0.2152 | 0.9654 | 0.4332 | 0.031* | |
C8A | −0.3516 (6) | 0.3516 (5) | 0.4626 (3) | 0.0209 (11) | |
H8AA | −0.3970 | 0.4333 | 0.4420 | 0.031* | |
H8AB | −0.4268 | 0.3106 | 0.4943 | 0.031* | |
H8AC | −0.3054 | 0.2993 | 0.4122 | 0.031* | |
C9 | 0.3740 (5) | 0.8192 (4) | 0.8088 (3) | 0.0132 (9) | |
C9A | 0.3917 (5) | 0.3273 (5) | 0.6881 (3) | 0.0162 (10) | |
C10 | 0.4527 (6) | 0.7528 (4) | 0.8705 (3) | 0.0178 (10) | |
H10A | 0.4094 | 0.7470 | 0.9288 | 0.021* | |
C10A | 0.4747 (6) | 0.4042 (5) | 0.7255 (3) | 0.0201 (10) | |
H10B | 0.4428 | 0.4919 | 0.7308 | 0.024* | |
C11 | 0.5941 (6) | 0.6948 (5) | 0.8474 (4) | 0.0246 (12) | |
H11A | 0.6494 | 0.6493 | 0.8898 | 0.030* | |
C11A | 0.6066 (6) | 0.3484 (5) | 0.7548 (4) | 0.0239 (11) | |
H11B | 0.6662 | 0.3986 | 0.7810 | 0.029* | |
C12 | 0.6553 (6) | 0.7028 (5) | 0.7628 (4) | 0.0260 (12) | |
H12A | 0.7531 | 0.6628 | 0.7467 | 0.031* | |
C12A | 0.6526 (6) | 0.2201 (5) | 0.7465 (3) | 0.0218 (11) | |
H12B | 0.7435 | 0.1833 | 0.7665 | 0.026* | |
C13 | 0.5752 (6) | 0.7690 (5) | 0.7010 (4) | 0.0260 (12) | |
H13A | 0.6176 | 0.7730 | 0.6424 | 0.031* | |
C13A | 0.5661 (6) | 0.1459 (5) | 0.7091 (3) | 0.0219 (11) | |
H13B | 0.5973 | 0.0579 | 0.7042 | 0.026* | |
C14 | 0.4334 (6) | 0.8293 (5) | 0.7241 (3) | 0.0187 (10) | |
H14A | 0.3786 | 0.8765 | 0.6824 | 0.022* | |
C14A | 0.4352 (5) | 0.1989 (5) | 0.6791 (3) | 0.0178 (10) | |
H14B | 0.3758 | 0.1486 | 0.6528 | 0.021* |
U11 | U22 | U33 | U12 | U13 | U23 | |
P1 | 0.0138 (6) | 0.0083 (5) | 0.0111 (5) | 0.0009 (4) | −0.0072 (4) | 0.0015 (4) |
P2 | 0.0147 (6) | 0.0089 (5) | 0.0104 (5) | 0.0003 (4) | −0.0061 (4) | 0.0016 (4) |
O1 | 0.0221 (18) | 0.0101 (15) | 0.0126 (16) | −0.0011 (13) | −0.0057 (13) | 0.0007 (12) |
O1A | 0.0187 (17) | 0.0110 (16) | 0.0160 (17) | −0.0015 (13) | −0.0062 (13) | 0.0001 (13) |
O2 | 0.0140 (16) | 0.0153 (16) | 0.0110 (15) | 0.0060 (13) | −0.0060 (13) | 0.0006 (12) |
O2A | 0.0188 (17) | 0.0141 (16) | 0.0132 (16) | −0.0011 (13) | −0.0042 (13) | 0.0009 (13) |
O3 | 0.0200 (18) | 0.0135 (17) | 0.0233 (19) | −0.0012 (14) | 0.0012 (15) | 0.0035 (14) |
O3A | 0.0223 (18) | 0.0099 (16) | 0.0167 (17) | −0.0023 (13) | −0.0022 (14) | 0.0004 (13) |
O4 | 0.0203 (17) | 0.0146 (17) | 0.0166 (17) | −0.0037 (13) | −0.0116 (14) | 0.0027 (13) |
O4A | 0.0268 (19) | 0.0122 (16) | 0.0169 (17) | −0.0051 (14) | −0.0110 (14) | 0.0022 (13) |
N1 | 0.020 (2) | 0.0063 (18) | 0.016 (2) | −0.0001 (15) | −0.0030 (16) | 0.0003 (15) |
N1A | 0.020 (2) | 0.0062 (18) | 0.0103 (18) | 0.0015 (15) | −0.0033 (15) | 0.0003 (14) |
N2 | 0.023 (2) | 0.013 (2) | 0.019 (2) | −0.0004 (17) | −0.0005 (17) | 0.0053 (16) |
N2A | 0.018 (2) | 0.0130 (19) | 0.015 (2) | −0.0004 (16) | −0.0020 (16) | 0.0000 (15) |
N3 | 0.0172 (19) | 0.0066 (18) | 0.0119 (18) | 0.0002 (15) | −0.0089 (15) | 0.0033 (14) |
N3A | 0.0167 (19) | 0.0094 (18) | 0.0139 (19) | −0.0008 (15) | −0.0082 (15) | 0.0022 (15) |
N4 | 0.019 (2) | 0.0110 (19) | 0.016 (2) | 0.0014 (16) | −0.0102 (16) | 0.0026 (15) |
N4A | 0.019 (2) | 0.0108 (19) | 0.016 (2) | −0.0030 (15) | −0.0124 (16) | 0.0008 (15) |
C1 | 0.016 (2) | 0.010 (2) | 0.015 (2) | 0.0019 (17) | −0.0069 (18) | 0.0015 (17) |
C1A | 0.015 (2) | 0.011 (2) | 0.013 (2) | 0.0014 (17) | −0.0102 (17) | 0.0029 (16) |
C2 | 0.022 (3) | 0.015 (2) | 0.015 (2) | −0.0001 (19) | −0.0011 (19) | −0.0011 (18) |
C2A | 0.015 (2) | 0.010 (2) | 0.013 (2) | 0.0029 (17) | −0.0081 (18) | −0.0003 (17) |
C3 | 0.019 (2) | 0.017 (2) | 0.017 (2) | −0.0019 (19) | −0.0042 (19) | −0.0019 (19) |
C3A | 0.013 (2) | 0.010 (2) | 0.018 (2) | 0.0019 (17) | −0.0113 (18) | 0.0020 (17) |
C4 | 0.032 (3) | 0.025 (3) | 0.018 (3) | −0.003 (2) | −0.001 (2) | 0.006 (2) |
C4A | 0.020 (2) | 0.013 (2) | 0.017 (2) | −0.0014 (19) | −0.0035 (19) | 0.0022 (18) |
C5 | 0.012 (2) | 0.009 (2) | 0.013 (2) | 0.0014 (16) | −0.0016 (17) | 0.0020 (17) |
C5A | 0.012 (2) | 0.015 (2) | 0.010 (2) | 0.0003 (17) | −0.0045 (17) | 0.0010 (17) |
C6 | 0.019 (2) | 0.010 (2) | 0.016 (2) | 0.0005 (18) | −0.0086 (19) | 0.0026 (17) |
C6A | 0.018 (2) | 0.013 (2) | 0.013 (2) | 0.0010 (18) | −0.0025 (18) | 0.0018 (17) |
C7 | 0.018 (2) | 0.013 (2) | 0.014 (2) | −0.0004 (18) | −0.0057 (19) | 0.0011 (17) |
C7A | 0.020 (2) | 0.017 (2) | 0.010 (2) | −0.0007 (19) | −0.0068 (18) | 0.0017 (17) |
C8 | 0.026 (3) | 0.016 (2) | 0.022 (3) | 0.000 (2) | −0.017 (2) | 0.002 (2) |
C8A | 0.025 (3) | 0.017 (2) | 0.022 (3) | −0.004 (2) | −0.010 (2) | 0.002 (2) |
C9 | 0.008 (2) | 0.012 (2) | 0.020 (2) | −0.0001 (17) | −0.0093 (18) | −0.0011 (18) |
C9A | 0.016 (2) | 0.018 (2) | 0.013 (2) | −0.0002 (19) | −0.0017 (18) | 0.0000 (18) |
C10 | 0.024 (3) | 0.016 (2) | 0.015 (2) | −0.0032 (19) | −0.008 (2) | 0.0027 (18) |
C10A | 0.025 (3) | 0.017 (2) | 0.019 (2) | −0.005 (2) | −0.006 (2) | −0.0016 (19) |
C11 | 0.021 (3) | 0.022 (3) | 0.030 (3) | 0.002 (2) | −0.010 (2) | 0.006 (2) |
C11A | 0.020 (3) | 0.029 (3) | 0.026 (3) | −0.007 (2) | −0.011 (2) | −0.003 (2) |
C12 | 0.021 (3) | 0.019 (3) | 0.037 (3) | 0.001 (2) | −0.005 (2) | 0.000 (2) |
C12A | 0.015 (2) | 0.026 (3) | 0.023 (3) | 0.000 (2) | −0.005 (2) | 0.003 (2) |
C13 | 0.026 (3) | 0.027 (3) | 0.024 (3) | −0.005 (2) | 0.003 (2) | 0.002 (2) |
C13A | 0.021 (3) | 0.020 (3) | 0.024 (3) | 0.001 (2) | −0.005 (2) | 0.000 (2) |
C14 | 0.022 (3) | 0.018 (2) | 0.017 (2) | −0.002 (2) | −0.006 (2) | 0.0032 (19) |
C14A | 0.017 (2) | 0.020 (2) | 0.017 (2) | −0.0060 (19) | 0.0009 (19) | −0.0036 (19) |
P1—O1 | 1.479 (3) | C4—H4C | 0.9800 |
P1—O2 | 1.583 (3) | C4A—H4AA | 0.9800 |
P1—N1 | 1.615 (4) | C4A—H4AB | 0.9800 |
P1—N3 | 1.647 (4) | C4A—H4AC | 0.9800 |
P2—O1A | 1.470 (3) | C5—C6 | 1.424 (6) |
P2—O2A | 1.574 (4) | C5A—C6A | 1.413 (6) |
P2—N3A | 1.628 (4) | C6—C7 | 1.339 (7) |
P2—N1A | 1.664 (4) | C6—H6A | 0.9500 |
O2—C9 | 1.385 (5) | C6A—C7A | 1.344 (7) |
O2A—C9A | 1.422 (6) | C6A—H6AA | 0.9500 |
O3—C3 | 1.351 (6) | C7—C8 | 1.485 (6) |
O3—N2 | 1.416 (5) | C7A—C8A | 1.480 (7) |
O3A—C3A | 1.359 (5) | C8—H8A | 0.9800 |
O3A—N2A | 1.400 (5) | C8—H8B | 0.9800 |
O4—C7 | 1.366 (6) | C8—H8C | 0.9800 |
O4—N4 | 1.399 (5) | C8A—H8AA | 0.9800 |
O4A—C7A | 1.350 (5) | C8A—H8AB | 0.9800 |
O4A—N4A | 1.420 (5) | C8A—H8AC | 0.9800 |
N1—C1 | 1.389 (6) | C9—C14 | 1.373 (7) |
N1—H1N | 0.9100 | C9—C10 | 1.376 (6) |
N1A—C1A | 1.375 (6) | C9A—C10A | 1.381 (7) |
N1A—H1NA | 0.9099 | C9A—C14A | 1.387 (7) |
N2—C1 | 1.316 (6) | C10—C11 | 1.375 (7) |
N2A—C1A | 1.315 (6) | C10—H10A | 0.9500 |
N3—C5 | 1.372 (6) | C10A—C11A | 1.386 (7) |
N3—H3N | 0.9099 | C10A—H10B | 0.9500 |
N3A—C5A | 1.379 (6) | C11—C12 | 1.374 (8) |
N3A—H3NA | 0.9100 | C11—H11A | 0.9500 |
N4—C5 | 1.310 (6) | C11A—C12A | 1.387 (7) |
N4A—C5A | 1.321 (6) | C11A—H11B | 0.9500 |
C1—C2 | 1.405 (7) | C12—C13 | 1.383 (8) |
C1A—C2A | 1.420 (6) | C12—H12A | 0.9500 |
C2—C3 | 1.352 (7) | C12A—C13A | 1.384 (7) |
C2—H2A | 0.9500 | C12A—H12B | 0.9500 |
C2A—C3A | 1.349 (7) | C13—C14 | 1.385 (7) |
C2A—H2AA | 0.9500 | C13—H13A | 0.9500 |
C3—C4 | 1.474 (7) | C13A—C14A | 1.374 (7) |
C3A—C4A | 1.477 (7) | C13A—H13B | 0.9500 |
C4—H4A | 0.9800 | C14—H14A | 0.9500 |
C4—H4B | 0.9800 | C14A—H14B | 0.9500 |
O1—P1—O2 | 117.1 (2) | N4—C5—C6 | 112.2 (4) |
O1—P1—N1 | 109.0 (2) | N3—C5—C6 | 129.6 (4) |
O2—P1—N1 | 103.46 (19) | N4A—C5A—N3A | 122.7 (4) |
O1—P1—N3 | 114.91 (19) | N4A—C5A—C6A | 113.7 (4) |
O2—P1—N3 | 100.85 (18) | N3A—C5A—C6A | 123.6 (4) |
N1—P1—N3 | 110.8 (2) | C7—C6—C5 | 103.8 (4) |
O1A—P2—O2A | 116.0 (2) | C7—C6—H6A | 128.1 |
O1A—P2—N3A | 108.7 (2) | C5—C6—H6A | 128.1 |
O2A—P2—N3A | 104.71 (19) | C7A—C6A—C5A | 103.0 (4) |
O1A—P2—N1A | 115.2 (2) | C7A—C6A—H6AA | 128.5 |
O2A—P2—N1A | 101.09 (19) | C5A—C6A—H6AA | 128.5 |
N3A—P2—N1A | 110.5 (2) | C6—C7—O4 | 110.3 (4) |
C9—O2—P1 | 127.1 (3) | C6—C7—C8 | 134.6 (5) |
C9A—O2A—P2 | 121.1 (3) | O4—C7—C8 | 115.1 (4) |
C3—O3—N2 | 108.4 (4) | C6A—C7A—O4A | 111.2 (4) |
C3A—O3A—N2A | 107.9 (3) | C6A—C7A—C8A | 132.8 (4) |
C7—O4—N4 | 108.3 (3) | O4A—C7A—C8A | 115.9 (4) |
C7A—O4A—N4A | 108.5 (3) | C7—C8—H8A | 109.5 |
C1—N1—P1 | 129.0 (3) | C7—C8—H8B | 109.5 |
C1—N1—H1N | 119.2 | H8A—C8—H8B | 109.5 |
P1—N1—H1N | 111.8 | C7—C8—H8C | 109.5 |
C1A—N1A—P2 | 123.4 (3) | H8A—C8—H8C | 109.5 |
C1A—N1A—H1NA | 112.6 | H8B—C8—H8C | 109.5 |
P2—N1A—H1NA | 118.3 | C7A—C8A—H8AA | 109.5 |
C1—N2—O3 | 104.8 (4) | C7A—C8A—H8AB | 109.5 |
C1A—N2A—O3A | 105.5 (4) | H8AA—C8A—H8AB | 109.5 |
C5—N3—P1 | 122.9 (3) | C7A—C8A—H8AC | 109.5 |
C5—N3—H3N | 116.5 | H8AA—C8A—H8AC | 109.5 |
P1—N3—H3N | 117.8 | H8AB—C8A—H8AC | 109.5 |
C5A—N3A—P2 | 130.2 (3) | C14—C9—C10 | 121.5 (4) |
C5A—N3A—H3NA | 116.6 | C14—C9—O2 | 122.9 (4) |
P2—N3A—H3NA | 112.9 | C10—C9—O2 | 115.6 (4) |
C5—N4—O4 | 105.4 (3) | C10A—C9A—C14A | 122.7 (5) |
C5A—N4A—O4A | 103.6 (3) | C10A—C9A—O2A | 120.2 (4) |
N2—C1—N1 | 123.3 (4) | C14A—C9A—O2A | 117.1 (4) |
N2—C1—C2 | 112.5 (4) | C11—C10—C9 | 119.7 (5) |
N1—C1—C2 | 124.2 (4) | C11—C10—H10A | 120.2 |
N2A—C1A—N1A | 118.9 (4) | C9—C10—H10A | 120.2 |
N2A—C1A—C2A | 112.4 (4) | C9A—C10A—C11A | 117.5 (5) |
N1A—C1A—C2A | 128.8 (4) | C9A—C10A—H10B | 121.3 |
C3—C2—C1 | 104.3 (4) | C11A—C10A—H10B | 121.3 |
C3—C2—H2A | 127.8 | C12—C11—C10 | 119.7 (5) |
C1—C2—H2A | 127.8 | C12—C11—H11A | 120.1 |
C3A—C2A—C1A | 103.2 (4) | C10—C11—H11A | 120.1 |
C3A—C2A—H2AA | 128.4 | C10A—C11A—C12A | 120.9 (5) |
C1A—C2A—H2AA | 128.4 | C10A—C11A—H11B | 119.6 |
O3—C3—C2 | 110.0 (4) | C12A—C11A—H11B | 119.6 |
O3—C3—C4 | 116.1 (4) | C11—C12—C13 | 120.3 (5) |
C2—C3—C4 | 133.9 (5) | C11—C12—H12A | 119.9 |
C2A—C3A—O3A | 110.9 (4) | C13—C12—H12A | 119.9 |
C2A—C3A—C4A | 133.7 (4) | C13A—C12A—C11A | 120.1 (5) |
O3A—C3A—C4A | 115.4 (4) | C13A—C12A—H12B | 119.9 |
C3—C4—H4A | 109.5 | C11A—C12A—H12B | 119.9 |
C3—C4—H4B | 109.5 | C12—C13—C14 | 120.3 (5) |
H4A—C4—H4B | 109.5 | C12—C13—H13A | 119.8 |
C3—C4—H4C | 109.5 | C14—C13—H13A | 119.8 |
H4A—C4—H4C | 109.5 | C14A—C13A—C12A | 120.2 (5) |
H4B—C4—H4C | 109.5 | C14A—C13A—H13B | 119.9 |
C3A—C4A—H4AA | 109.5 | C12A—C13A—H13B | 119.9 |
C3A—C4A—H4AB | 109.5 | C9—C14—C13 | 118.4 (5) |
H4AA—C4A—H4AB | 109.5 | C9—C14—H14A | 120.8 |
C3A—C4A—H4AC | 109.5 | C13—C14—H14A | 120.8 |
H4AA—C4A—H4AC | 109.5 | C13A—C14A—C9A | 118.7 (5) |
H4AB—C4A—H4AC | 109.5 | C13A—C14A—H14B | 120.7 |
N4—C5—N3 | 118.2 (4) | C9A—C14A—H14B | 120.7 |
O1—P1—O2—C9 | −58.7 (4) | N2A—O3A—C3A—C4A | −178.2 (4) |
N1—P1—O2—C9 | −178.6 (4) | O4—N4—C5—N3 | −179.6 (4) |
N3—P1—O2—C9 | 66.7 (4) | O4—N4—C5—C6 | 0.7 (5) |
O1A—P2—O2A—C9A | 60.7 (4) | P1—N3—C5—N4 | −169.3 (3) |
N3A—P2—O2A—C9A | −179.5 (3) | P1—N3—C5—C6 | 10.2 (7) |
N1A—P2—O2A—C9A | −64.7 (4) | O4A—N4A—C5A—N3A | 177.8 (4) |
O1—P1—N1—C1 | 176.5 (4) | O4A—N4A—C5A—C6A | −0.1 (5) |
O2—P1—N1—C1 | −58.2 (5) | P2—N3A—C5A—N4A | 3.5 (7) |
N3—P1—N1—C1 | 49.1 (5) | P2—N3A—C5A—C6A | −178.8 (4) |
O1A—P2—N1A—C1A | 49.7 (4) | N4—C5—C6—C7 | −0.4 (6) |
O2A—P2—N1A—C1A | 175.5 (4) | N3—C5—C6—C7 | −180.0 (5) |
N3A—P2—N1A—C1A | −74.0 (4) | N4A—C5A—C6A—C7A | 0.0 (6) |
C3—O3—N2—C1 | 0.0 (5) | N3A—C5A—C6A—C7A | −178.0 (4) |
C3A—O3A—N2A—C1A | 0.1 (5) | C5—C6—C7—O4 | −0.1 (5) |
O1—P1—N3—C5 | −48.8 (4) | C5—C6—C7—C8 | 179.5 (6) |
O2—P1—N3—C5 | −175.7 (4) | N4—O4—C7—C6 | 0.6 (5) |
N1—P1—N3—C5 | 75.3 (4) | N4—O4—C7—C8 | −179.2 (4) |
O1A—P2—N3A—C5A | −168.7 (4) | C5A—C6A—C7A—O4A | 0.2 (5) |
O2A—P2—N3A—C5A | 66.8 (5) | C5A—C6A—C7A—C8A | −179.8 (5) |
N1A—P2—N3A—C5A | −41.3 (5) | N4A—O4A—C7A—C6A | −0.2 (5) |
C7—O4—N4—C5 | −0.8 (5) | N4A—O4A—C7A—C8A | 179.7 (4) |
C7A—O4A—N4A—C5A | 0.2 (5) | P1—O2—C9—C14 | 6.2 (7) |
O3—N2—C1—N1 | 179.6 (4) | P1—O2—C9—C10 | −174.5 (3) |
O3—N2—C1—C2 | 0.5 (5) | P2—O2A—C9A—C10A | −63.1 (6) |
P1—N1—C1—N2 | −1.5 (7) | P2—O2A—C9A—C14A | 119.0 (4) |
P1—N1—C1—C2 | 177.5 (4) | C14—C9—C10—C11 | 0.0 (8) |
O3A—N2A—C1A—N1A | 177.8 (4) | O2—C9—C10—C11 | −179.3 (5) |
O3A—N2A—C1A—C2A | −1.1 (5) | C14A—C9A—C10A—C11A | −0.1 (8) |
P2—N1A—C1A—N2A | 157.4 (3) | O2A—C9A—C10A—C11A | −177.8 (4) |
P2—N1A—C1A—C2A | −23.9 (7) | C9—C10—C11—C12 | −0.5 (8) |
N2—C1—C2—C3 | −0.7 (6) | C9A—C10A—C11A—C12A | 0.2 (8) |
N1—C1—C2—C3 | −179.9 (5) | C10—C11—C12—C13 | 0.0 (9) |
N2A—C1A—C2A—C3A | 1.7 (5) | C10A—C11A—C12A—C13A | −0.5 (8) |
N1A—C1A—C2A—C3A | −177.0 (4) | C11—C12—C13—C14 | 1.0 (9) |
N2—O3—C3—C2 | −0.5 (5) | C11A—C12A—C13A—C14A | 0.8 (8) |
N2—O3—C3—C4 | −179.4 (4) | C10—C9—C14—C13 | 1.0 (8) |
C1—C2—C3—O3 | 0.7 (6) | O2—C9—C14—C13 | −179.8 (5) |
C1—C2—C3—C4 | 179.4 (6) | C12—C13—C14—C9 | −1.5 (8) |
C1A—C2A—C3A—O3A | −1.6 (5) | C12A—C13A—C14A—C9A | −0.7 (8) |
C1A—C2A—C3A—C4A | 177.4 (5) | C10A—C9A—C14A—C13A | 0.3 (8) |
N2A—O3A—C3A—C2A | 1.1 (5) | O2A—C9A—C14A—C13A | 178.1 (4) |
D—H···A | D—H | H···A | D···A | D—H···A |
N1A—H1NA···O1i | 0.91 | 2.16 | 3.054 (5) | 166 |
N1—H1N···N2Aii | 0.91 | 1.94 | 2.842 (6) | 170 |
N3A—H3NA···N4 | 0.91 | 1.91 | 2.824 (6) | 177 |
N3—H3N···O1A | 0.91 | 2.08 | 2.974 (5) | 168 |
Symmetry codes: (i) x, y−1, z; (ii) x, y+1, z. |
C34H36CeN7O14P2·C2H6O | F(000) = 4120 |
Mr = 1014.83 | Dx = 1.557 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 14.8817 (5) Å | Cell parameters from 9920 reflections |
b = 15.9332 (5) Å | θ = 2.3–30.5° |
c = 36.7289 (12) Å | µ = 1.20 mm−1 |
β = 96.133 (1)° | T = 100 K |
V = 8659.1 (5) Å3 | Prism, colourless |
Z = 8 | 0.17 × 0.12 × 0.10 mm |
Bruker APEX-II CCD diffractometer | 20861 independent reflections |
Radiation source: fine-focus sealed tube | 14486 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.081 |
ϕ and ω scans | θmax = 28.0°, θmin = 1.7° |
Absorption correction: multi-scan SADABS (Sheldrick, 2003) | h = −19→19 |
Tmin = 0.741, Tmax = 0.889 | k = −21→21 |
98260 measured reflections | l = −48→48 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.046 | Hydrogen site location: mixed |
wR(F2) = 0.090 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0251P)2 + 14.9859P] where P = (Fo2 + 2Fc2)/3 |
20861 reflections | (Δ/σ)max = 0.002 |
1157 parameters | Δρmax = 1.08 e Å−3 |
0 restraints | Δρmin = −1.34 e Å−3 |
C34H36CeN7O14P2·C2H6O | V = 8659.1 (5) Å3 |
Mr = 1014.83 | Z = 8 |
Monoclinic, P21/n | Mo Kα radiation |
a = 14.8817 (5) Å | µ = 1.20 mm−1 |
b = 15.9332 (5) Å | T = 100 K |
c = 36.7289 (12) Å | 0.17 × 0.12 × 0.10 mm |
β = 96.133 (1)° |
Bruker APEX-II CCD diffractometer | 20861 independent reflections |
Absorption correction: multi-scan SADABS (Sheldrick, 2003) | 14486 reflections with I > 2σ(I) |
Tmin = 0.741, Tmax = 0.889 | Rint = 0.081 |
98260 measured reflections |
R[F2 > 2σ(F2)] = 0.046 | 0 restraints |
wR(F2) = 0.090 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0251P)2 + 14.9859P] where P = (Fo2 + 2Fc2)/3 |
20861 reflections | Δρmax = 1.08 e Å−3 |
1157 parameters | Δρmin = −1.34 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ce1A | 0.269159 (14) | 0.481741 (14) | 0.123985 (5) | 0.01154 (5) | |
P1A | 0.48040 (7) | 0.36220 (6) | 0.12083 (3) | 0.0138 (2) | |
P2A | 0.03072 (7) | 0.37417 (6) | 0.12068 (3) | 0.0146 (2) | |
O1A | 0.2353 (2) | 0.47363 (18) | 0.19169 (7) | 0.0222 (6) | |
O2A | 0.3526 (2) | 0.54571 (19) | 0.18160 (8) | 0.0240 (7) | |
O3A | 0.3019 (2) | 0.55200 (19) | 0.23494 (8) | 0.0341 (8) | |
O4A | 0.1686 (2) | 0.60666 (19) | 0.14478 (8) | 0.0264 (7) | |
O5A | 0.1623 (2) | 0.58623 (18) | 0.08617 (8) | 0.0226 (7) | |
O6A | 0.0764 (3) | 0.6798 (2) | 0.10756 (11) | 0.0494 (10) | |
O7A | 0.33430 (19) | 0.54397 (16) | 0.06335 (7) | 0.0181 (6) | |
O8A | 0.35937 (19) | 0.61651 (16) | 0.11349 (7) | 0.0163 (6) | |
O9A | 0.4310 (2) | 0.64657 (18) | 0.06643 (8) | 0.0242 (7) | |
O10A | 0.2399 (2) | 0.3843 (2) | 0.07019 (8) | 0.0203 (7) | |
H10V | 0.216 (4) | 0.347 (4) | 0.0751 (17) | 0.06 (2)* | |
O11A | 0.42547 (18) | 0.44113 (17) | 0.11888 (8) | 0.0171 (6) | |
O12A | 0.12034 (18) | 0.41706 (17) | 0.12574 (7) | 0.0169 (6) | |
O13A | 0.24718 (18) | 0.28949 (17) | 0.17459 (7) | 0.0185 (6) | |
O14A | 0.1901 (2) | 0.16903 (18) | 0.07754 (8) | 0.0221 (6) | |
N1A | 0.2967 (2) | 0.5240 (2) | 0.20367 (9) | 0.0221 (8) | |
N2A | 0.1349 (2) | 0.6255 (2) | 0.11251 (11) | 0.0243 (8) | |
N3A | 0.3757 (2) | 0.6034 (2) | 0.08087 (9) | 0.0163 (7) | |
N4A | 0.3061 (2) | 0.3258 (2) | 0.15124 (8) | 0.0150 (7) | |
N5A | 0.4167 (2) | 0.2770 (2) | 0.11596 (9) | 0.0152 (7) | |
H5A | 0.432 (3) | 0.240 (3) | 0.1033 (13) | 0.023 (13)* | |
N6A | 0.1458 (2) | 0.2420 (2) | 0.08856 (9) | 0.0181 (7) | |
N7A | 0.0333 (2) | 0.2715 (2) | 0.12680 (10) | 0.0172 (7) | |
H7A | 0.005 (3) | 0.253 (3) | 0.1421 (12) | 0.018 (12)* | |
C1A | 0.2781 (4) | 0.3661 (4) | 0.03635 (14) | 0.0246 (12) | 0.82 |
H1AA | 0.3359 | 0.3357 | 0.0422 | 0.030* | 0.82 |
H1AB | 0.2916 | 0.4197 | 0.0244 | 0.030* | 0.82 |
C2A | 0.2180 (4) | 0.3151 (4) | 0.01022 (14) | 0.0302 (13) | 0.82 |
H2AA | 0.2432 | 0.3125 | −0.0133 | 0.045* | 0.82 |
H2AB | 0.1579 | 0.3410 | 0.0067 | 0.045* | 0.82 |
H2AC | 0.2130 | 0.2582 | 0.0200 | 0.045* | 0.82 |
C1'A | 0.229 (2) | 0.3814 (18) | 0.0323 (7) | 0.028 (6)* | 0.18 |
H1'A | 0.2572 | 0.4311 | 0.0221 | 0.034* | 0.18 |
H1'B | 0.1636 | 0.3815 | 0.0233 | 0.034* | 0.18 |
C2'A | 0.2736 (19) | 0.3002 (16) | 0.0199 (7) | 0.025 (5)* | 0.18 |
H2'A | 0.2811 | 0.3042 | −0.0063 | 0.037* | 0.18 |
H2'B | 0.2353 | 0.2519 | 0.0240 | 0.037* | 0.18 |
H2'C | 0.3329 | 0.2931 | 0.0339 | 0.037* | 0.18 |
C3A | 0.3503 (3) | 0.2623 (2) | 0.13921 (10) | 0.0142 (8) | |
C4A | 0.3238 (3) | 0.1851 (2) | 0.15310 (11) | 0.0181 (8) | |
H4AA | 0.3463 | 0.1309 | 0.1483 | 0.022* | |
C5A | 0.2591 (3) | 0.2054 (2) | 0.17487 (11) | 0.0189 (9) | |
C6A | 0.2038 (4) | 0.1572 (3) | 0.19818 (12) | 0.0318 (11) | |
H6AA | 0.1399 | 0.1717 | 0.1921 | 0.048* | |
H6AB | 0.2221 | 0.1706 | 0.2239 | 0.048* | |
H6AC | 0.2123 | 0.0971 | 0.1941 | 0.048* | |
C7A | 0.0872 (3) | 0.2148 (2) | 0.10990 (11) | 0.0165 (8) | |
C8A | 0.0888 (3) | 0.1267 (3) | 0.11385 (11) | 0.0223 (9) | |
H8AA | 0.0522 | 0.0929 | 0.1276 | 0.027* | |
C9A | 0.1541 (3) | 0.1018 (3) | 0.09364 (12) | 0.0247 (10) | |
C10A | 0.1958 (4) | 0.0193 (3) | 0.08638 (14) | 0.0459 (14) | |
H10A | 0.2350 | 0.0014 | 0.1082 | 0.069* | |
H10B | 0.2318 | 0.0248 | 0.0657 | 0.069* | |
H10C | 0.1482 | −0.0225 | 0.0806 | 0.069* | |
C11A | 0.5455 (3) | 0.3545 (3) | 0.16491 (11) | 0.0161 (8) | |
C12A | 0.5589 (3) | 0.4270 (3) | 0.18640 (11) | 0.0199 (9) | |
H12A | 0.5352 | 0.4794 | 0.1775 | 0.024* | |
C13A | 0.6072 (3) | 0.4214 (3) | 0.22093 (12) | 0.0234 (9) | |
H13A | 0.6173 | 0.4704 | 0.2355 | 0.028* | |
C14A | 0.6407 (3) | 0.3451 (3) | 0.23411 (12) | 0.0262 (10) | |
H14A | 0.6733 | 0.3418 | 0.2578 | 0.031* | |
C15A | 0.6268 (3) | 0.2730 (3) | 0.21281 (12) | 0.0243 (10) | |
H15A | 0.6501 | 0.2207 | 0.2220 | 0.029* | |
C16A | 0.5792 (3) | 0.2772 (3) | 0.17821 (11) | 0.0186 (8) | |
H16A | 0.5696 | 0.2280 | 0.1637 | 0.022* | |
C17A | 0.5473 (3) | 0.3531 (2) | 0.08322 (11) | 0.0149 (8) | |
C18A | 0.6195 (3) | 0.2976 (2) | 0.08366 (11) | 0.0178 (8) | |
H18A | 0.6390 | 0.2668 | 0.1052 | 0.021* | |
C19A | 0.6628 (3) | 0.2877 (3) | 0.05240 (11) | 0.0210 (9) | |
H19A | 0.7123 | 0.2500 | 0.0526 | 0.025* | |
C20A | 0.6343 (3) | 0.3325 (3) | 0.02067 (12) | 0.0208 (9) | |
H20A | 0.6634 | 0.3248 | −0.0009 | 0.025* | |
C21A | 0.5630 (3) | 0.3886 (3) | 0.02091 (11) | 0.0209 (9) | |
H21A | 0.5439 | 0.4198 | −0.0006 | 0.025* | |
C22A | 0.5195 (3) | 0.3997 (3) | 0.05184 (11) | 0.0185 (9) | |
H22A | 0.4711 | 0.4386 | 0.0518 | 0.022* | |
C23A | −0.0426 (3) | 0.4048 (2) | 0.15384 (11) | 0.0188 (9) | |
C24A | −0.1327 (3) | 0.3777 (3) | 0.14954 (12) | 0.0212 (9) | |
H24A | −0.1553 | 0.3467 | 0.1284 | 0.025* | |
C25A | −0.1885 (3) | 0.3964 (3) | 0.17613 (12) | 0.0258 (10) | |
H25A | −0.2495 | 0.3778 | 0.1735 | 0.031* | |
C26A | −0.1556 (3) | 0.4421 (3) | 0.20662 (12) | 0.0270 (10) | |
H26A | −0.1942 | 0.4552 | 0.2248 | 0.032* | |
C27A | −0.0666 (3) | 0.4688 (3) | 0.21077 (13) | 0.0313 (11) | |
H27A | −0.0443 | 0.4997 | 0.2319 | 0.038* | |
C28A | −0.0097 (3) | 0.4508 (3) | 0.18433 (12) | 0.0248 (10) | |
H28A | 0.0511 | 0.4698 | 0.1871 | 0.030* | |
C29A | −0.0268 (3) | 0.3951 (3) | 0.07624 (11) | 0.0177 (8) | |
C30A | −0.0771 (3) | 0.3355 (3) | 0.05568 (11) | 0.0211 (9) | |
H30A | −0.0786 | 0.2793 | 0.0643 | 0.025* | |
C31A | −0.1254 (3) | 0.3571 (3) | 0.02266 (12) | 0.0248 (10) | |
H31A | −0.1591 | 0.3155 | 0.0086 | 0.030* | |
C32A | −0.1249 (3) | 0.4385 (3) | 0.01004 (14) | 0.0380 (12) | |
H32A | −0.1590 | 0.4532 | −0.0124 | 0.046* | |
C33A | −0.0745 (4) | 0.4986 (3) | 0.03023 (17) | 0.0541 (18) | |
H33A | −0.0735 | 0.5547 | 0.0216 | 0.065* | |
C34A | −0.0255 (4) | 0.4770 (3) | 0.06313 (15) | 0.0431 (14) | |
H34A | 0.0093 | 0.5184 | 0.0768 | 0.052* | |
Ce1B | 0.650088 (13) | 0.982188 (14) | 0.118436 (5) | 0.01131 (5) | |
P1B | 0.43786 (7) | 0.86463 (6) | 0.11988 (3) | 0.0125 (2) | |
P2B | 0.88136 (7) | 0.86881 (6) | 0.11375 (3) | 0.0151 (2) | |
O1B | 0.73256 (18) | 0.97982 (18) | 0.18473 (7) | 0.0203 (6) | |
O2B | 0.6100 (2) | 1.05394 (19) | 0.17740 (8) | 0.0235 (7) | |
O3B | 0.6987 (2) | 1.06294 (18) | 0.22852 (8) | 0.0268 (7) | |
O4B | 0.73500 (19) | 1.07334 (17) | 0.07385 (8) | 0.0201 (6) | |
O5B | 0.7678 (2) | 1.10678 (18) | 0.13069 (8) | 0.0212 (6) | |
O6B | 0.8481 (2) | 1.1570 (2) | 0.08944 (10) | 0.0385 (9) | |
O7B | 0.54330 (19) | 1.04173 (16) | 0.05960 (7) | 0.0178 (6) | |
O8B | 0.55431 (18) | 1.11633 (16) | 0.10929 (7) | 0.0167 (6) | |
O9B | 0.4434 (2) | 1.13829 (19) | 0.06652 (8) | 0.0254 (7) | |
O10B | 0.6431 (2) | 0.87789 (19) | 0.06688 (8) | 0.0187 (6) | |
H10W | 0.674 (3) | 0.845 (3) | 0.0723 (14) | 0.029 (16)* | |
O11B | 0.49135 (18) | 0.94331 (16) | 0.11855 (7) | 0.0160 (6) | |
O12B | 0.79850 (18) | 0.91878 (16) | 0.11778 (7) | 0.0158 (6) | |
O13B | 0.69995 (18) | 0.79078 (17) | 0.17323 (7) | 0.0176 (6) | |
O14B | 0.70596 (19) | 0.65563 (17) | 0.07603 (8) | 0.0200 (6) | |
N1B | 0.6806 (2) | 1.0330 (2) | 0.19788 (9) | 0.0190 (8) | |
N2B | 0.7850 (2) | 1.1137 (2) | 0.09755 (10) | 0.0206 (8) | |
N3B | 0.5125 (2) | 1.0993 (2) | 0.07790 (9) | 0.0169 (7) | |
N4B | 0.6306 (2) | 0.8270 (2) | 0.14906 (9) | 0.0145 (7) | |
N5B | 0.4987 (2) | 0.7792 (2) | 0.11496 (9) | 0.0139 (7) | |
H5B | 0.479 (4) | 0.736 (3) | 0.1018 (15) | 0.048 (17)* | |
N6B | 0.7480 (2) | 0.7321 (2) | 0.08778 (9) | 0.0165 (7) | |
N7B | 0.8770 (2) | 0.7695 (2) | 0.12639 (10) | 0.0183 (8) | |
H7B | 0.912 (3) | 0.755 (3) | 0.1417 (13) | 0.023 (13)* | |
C1B | 0.6148 (3) | 0.8699 (3) | 0.02800 (11) | 0.0219 (9) | |
H1BA | 0.6688 | 0.8681 | 0.0145 | 0.026* | |
H1BB | 0.5786 | 0.9197 | 0.0195 | 0.026* | |
C2B | 0.5593 (3) | 0.7917 (3) | 0.01954 (12) | 0.0259 (10) | |
H2BA | 0.5441 | 0.7868 | −0.0070 | 0.039* | |
H2BB | 0.5036 | 0.7951 | 0.0315 | 0.039* | |
H2BC | 0.5941 | 0.7424 | 0.0286 | 0.039* | |
C3B | 0.5765 (3) | 0.7642 (2) | 0.13841 (10) | 0.0134 (8) | |
C4B | 0.6073 (3) | 0.6865 (3) | 0.15389 (11) | 0.0183 (8) | |
H4BA | 0.5804 | 0.6327 | 0.1503 | 0.022* | |
C5B | 0.6838 (3) | 0.7074 (3) | 0.17494 (11) | 0.0202 (9) | |
C6B | 0.7494 (3) | 0.6586 (3) | 0.20042 (13) | 0.0324 (11) | |
H6BA | 0.8111 | 0.6705 | 0.1949 | 0.049* | |
H6BB | 0.7370 | 0.5985 | 0.1973 | 0.049* | |
H6BC | 0.7429 | 0.6748 | 0.2258 | 0.049* | |
C7B | 0.8188 (3) | 0.7097 (2) | 0.10992 (11) | 0.0181 (8) | |
C8B | 0.8272 (3) | 0.6218 (3) | 0.11423 (13) | 0.0276 (10) | |
H8BA | 0.8725 | 0.5911 | 0.1288 | 0.033* | |
C9B | 0.7548 (3) | 0.5921 (3) | 0.09241 (14) | 0.0308 (11) | |
C10B | 0.7205 (4) | 0.5058 (3) | 0.08298 (18) | 0.0554 (18) | |
H10D | 0.7129 | 0.4990 | 0.0563 | 0.083* | |
H10E | 0.6622 | 0.4976 | 0.0926 | 0.083* | |
H10F | 0.7639 | 0.4642 | 0.0938 | 0.083* | |
C11B | 0.3510 (3) | 0.8569 (2) | 0.08228 (11) | 0.0150 (8) | |
C12B | 0.2739 (3) | 0.8067 (2) | 0.08315 (11) | 0.0163 (8) | |
H12B | 0.2643 | 0.7766 | 0.1047 | 0.020* | |
C13B | 0.2117 (3) | 0.8011 (3) | 0.05240 (11) | 0.0206 (9) | |
H13B | 0.1592 | 0.7674 | 0.0529 | 0.025* | |
C14B | 0.2261 (3) | 0.8448 (3) | 0.02075 (12) | 0.0206 (9) | |
H14B | 0.1832 | 0.8408 | −0.0003 | 0.025* | |
C15B | 0.3021 (3) | 0.8939 (3) | 0.01954 (11) | 0.0217 (9) | |
H15B | 0.3117 | 0.9230 | −0.0023 | 0.026* | |
C16B | 0.3645 (3) | 0.9008 (3) | 0.05024 (11) | 0.0176 (8) | |
H16B | 0.4164 | 0.9353 | 0.0496 | 0.021* | |
C17B | 0.3937 (2) | 0.8571 (2) | 0.16338 (10) | 0.0130 (8) | |
C18B | 0.3908 (3) | 0.9286 (3) | 0.18508 (11) | 0.0182 (9) | |
H18B | 0.4112 | 0.9809 | 0.1767 | 0.022* | |
C19B | 0.3581 (3) | 0.9233 (3) | 0.21900 (11) | 0.0204 (9) | |
H19B | 0.3553 | 0.9722 | 0.2336 | 0.024* | |
C20B | 0.3293 (3) | 0.8463 (3) | 0.23169 (11) | 0.0230 (9) | |
H20B | 0.3073 | 0.8427 | 0.2550 | 0.028* | |
C21B | 0.3331 (3) | 0.7749 (3) | 0.21013 (11) | 0.0229 (9) | |
H21B | 0.3137 | 0.7224 | 0.2188 | 0.027* | |
C22B | 0.3650 (3) | 0.7796 (3) | 0.17612 (11) | 0.0173 (8) | |
H22B | 0.3674 | 0.7306 | 0.1615 | 0.021* | |
C23B | 0.9073 (3) | 0.8692 (3) | 0.06684 (11) | 0.0186 (9) | |
C24B | 0.8850 (3) | 0.9384 (3) | 0.04515 (12) | 0.0297 (11) | |
H24B | 0.8539 | 0.9843 | 0.0546 | 0.036* | |
C25B | 0.9083 (4) | 0.9408 (4) | 0.00939 (13) | 0.0417 (14) | |
H25B | 0.8935 | 0.9887 | −0.0055 | 0.050* | |
C26B | 0.9527 (3) | 0.8740 (3) | −0.00455 (13) | 0.0351 (12) | |
H26B | 0.9689 | 0.8758 | −0.0289 | 0.042* | |
C27B | 0.9732 (3) | 0.8046 (3) | 0.01710 (12) | 0.0317 (11) | |
H27B | 1.0032 | 0.7584 | 0.0074 | 0.038* | |
C28B | 0.9510 (3) | 0.8006 (3) | 0.05264 (12) | 0.0229 (9) | |
H28B | 0.9651 | 0.7522 | 0.0672 | 0.027* | |
C29B | 0.9759 (3) | 0.9054 (2) | 0.14367 (11) | 0.0163 (8) | |
C30B | 1.0627 (3) | 0.8777 (3) | 0.13925 (12) | 0.0223 (9) | |
H30B | 1.0734 | 0.8442 | 0.1187 | 0.027* | |
C31B | 1.1338 (3) | 0.8995 (3) | 0.16526 (12) | 0.0242 (10) | |
H31B | 1.1933 | 0.8809 | 0.1625 | 0.029* | |
C32B | 1.1184 (3) | 0.9479 (3) | 0.19500 (12) | 0.0241 (9) | |
H32B | 1.1669 | 0.9614 | 0.2130 | 0.029* | |
C33B | 1.0316 (3) | 0.9773 (3) | 0.19876 (12) | 0.0236 (9) | |
H33B | 1.0214 | 1.0120 | 0.2189 | 0.028* | |
C34B | 0.9605 (3) | 0.9558 (3) | 0.17328 (11) | 0.0203 (9) | |
H34B | 0.9012 | 0.9754 | 0.1759 | 0.024* | |
O1S | −0.0719 (2) | 0.1775 (2) | 0.17235 (9) | 0.0271 (7) | |
H1S | −0.108 (4) | 0.154 (4) | 0.1574 (15) | 0.048 (18)* | |
C1S | −0.1070 (3) | 0.1835 (3) | 0.20704 (12) | 0.0326 (11) | |
H1SA | −0.1256 | 0.1273 | 0.2150 | 0.039* | |
H1SB | −0.1608 | 0.2206 | 0.2049 | 0.039* | |
C2S | −0.0361 (4) | 0.2183 (4) | 0.23430 (14) | 0.0432 (13) | |
H2SA | −0.0617 | 0.2289 | 0.2574 | 0.065* | |
H2SB | −0.0134 | 0.2711 | 0.2250 | 0.065* | |
H2SC | 0.0137 | 0.1781 | 0.2385 | 0.065* | |
O2S | 0.9991 (3) | 0.6876 (2) | 0.17914 (10) | 0.0361 (9) | |
H2S | 1.044 (4) | 0.680 (4) | 0.1683 (17) | 0.06 (2)* | |
C3S | 1.0337 (7) | 0.7285 (5) | 0.2130 (2) | 0.044 (2) | 0.70 |
H3SA | 1.0799 | 0.7703 | 0.2078 | 0.053* | 0.70 |
H3SB | 0.9838 | 0.7590 | 0.2230 | 0.053* | 0.70 |
C4S | 1.0733 (9) | 0.6700 (6) | 0.2403 (3) | 0.088 (4) | 0.70 |
H4SA | 1.0989 | 0.7010 | 0.2620 | 0.131* | 0.70 |
H4SB | 1.1213 | 0.6381 | 0.2302 | 0.131* | 0.70 |
H4SC | 1.0267 | 0.6313 | 0.2471 | 0.131* | 0.70 |
C3S' | 1.0253 (18) | 0.6785 (18) | 0.2187 (7) | 0.065 (7)* | 0.30 |
H3SC | 0.9695 | 0.6752 | 0.2311 | 0.078* | 0.30 |
H3SD | 1.0578 | 0.6246 | 0.2230 | 0.078* | 0.30 |
C4S' | 1.0783 (17) | 0.7410 (16) | 0.2347 (7) | 0.069 (7)* | 0.30 |
H4SD | 1.0896 | 0.7306 | 0.2611 | 0.104* | 0.30 |
H4SE | 1.0474 | 0.7950 | 0.2305 | 0.104* | 0.30 |
H4SF | 1.1359 | 0.7424 | 0.2241 | 0.104* | 0.30 |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ce1A | 0.01315 (11) | 0.01008 (10) | 0.01141 (10) | 0.00028 (9) | 0.00146 (8) | −0.00101 (9) |
P1A | 0.0127 (5) | 0.0124 (5) | 0.0165 (5) | 0.0011 (4) | 0.0025 (4) | −0.0003 (4) |
P2A | 0.0127 (5) | 0.0117 (5) | 0.0195 (5) | 0.0000 (4) | 0.0019 (4) | −0.0021 (4) |
O1A | 0.0303 (17) | 0.0208 (16) | 0.0164 (14) | −0.0020 (14) | 0.0064 (12) | −0.0007 (12) |
O2A | 0.0273 (17) | 0.0289 (17) | 0.0158 (15) | −0.0066 (13) | 0.0020 (12) | −0.0036 (12) |
O3A | 0.067 (3) | 0.0244 (17) | 0.0112 (15) | −0.0051 (17) | 0.0061 (15) | −0.0063 (12) |
O4A | 0.0351 (18) | 0.0232 (17) | 0.0212 (16) | 0.0077 (14) | 0.0049 (14) | −0.0018 (13) |
O5A | 0.0214 (16) | 0.0214 (16) | 0.0241 (17) | 0.0037 (13) | −0.0019 (13) | 0.0012 (12) |
O6A | 0.047 (2) | 0.039 (2) | 0.063 (3) | 0.0267 (19) | 0.005 (2) | 0.0051 (19) |
O7A | 0.0259 (16) | 0.0119 (14) | 0.0159 (14) | −0.0041 (12) | −0.0009 (12) | −0.0036 (11) |
O8A | 0.0269 (16) | 0.0148 (14) | 0.0084 (13) | −0.0027 (12) | 0.0070 (11) | −0.0020 (10) |
O9A | 0.0337 (18) | 0.0234 (16) | 0.0168 (15) | −0.0138 (14) | 0.0093 (13) | −0.0017 (12) |
O10A | 0.0253 (17) | 0.0184 (16) | 0.0182 (15) | −0.0085 (14) | 0.0073 (12) | −0.0048 (12) |
O11A | 0.0168 (15) | 0.0123 (14) | 0.0227 (15) | 0.0014 (11) | 0.0043 (12) | 0.0017 (11) |
O12A | 0.0131 (14) | 0.0162 (15) | 0.0216 (15) | 0.0008 (11) | 0.0029 (11) | −0.0024 (11) |
O13A | 0.0199 (15) | 0.0183 (15) | 0.0188 (15) | −0.0020 (12) | 0.0097 (12) | 0.0034 (11) |
O14A | 0.0255 (16) | 0.0190 (15) | 0.0231 (16) | 0.0070 (13) | 0.0082 (13) | −0.0035 (12) |
N1A | 0.036 (2) | 0.0185 (18) | 0.0122 (16) | 0.0072 (17) | 0.0026 (15) | −0.0017 (15) |
N2A | 0.024 (2) | 0.0140 (18) | 0.034 (2) | 0.0034 (15) | 0.0020 (17) | 0.0037 (16) |
N3A | 0.0231 (19) | 0.0095 (16) | 0.0165 (17) | −0.0011 (14) | 0.0031 (14) | −0.0014 (13) |
N4A | 0.0165 (17) | 0.0161 (17) | 0.0128 (16) | −0.0011 (13) | 0.0039 (13) | 0.0033 (13) |
N5A | 0.0205 (18) | 0.0102 (17) | 0.0160 (17) | −0.0005 (14) | 0.0073 (14) | −0.0018 (13) |
N6A | 0.0190 (18) | 0.0132 (17) | 0.0227 (19) | 0.0031 (14) | 0.0055 (14) | −0.0037 (14) |
N7A | 0.0183 (18) | 0.0139 (18) | 0.0206 (19) | 0.0029 (14) | 0.0075 (15) | −0.0016 (14) |
C1A | 0.029 (3) | 0.027 (3) | 0.019 (3) | −0.008 (3) | 0.010 (2) | −0.009 (2) |
C2A | 0.041 (4) | 0.034 (3) | 0.015 (3) | −0.003 (3) | 0.001 (2) | −0.004 (2) |
C3A | 0.0133 (19) | 0.0108 (18) | 0.018 (2) | −0.0003 (15) | −0.0005 (15) | 0.0001 (15) |
C4A | 0.023 (2) | 0.014 (2) | 0.017 (2) | 0.0015 (17) | −0.0004 (16) | 0.0033 (15) |
C5A | 0.026 (2) | 0.015 (2) | 0.015 (2) | −0.0055 (17) | −0.0009 (17) | 0.0034 (15) |
C6A | 0.050 (3) | 0.025 (3) | 0.023 (2) | −0.009 (2) | 0.017 (2) | 0.0050 (19) |
C7A | 0.021 (2) | 0.0135 (19) | 0.015 (2) | 0.0011 (16) | 0.0022 (16) | 0.0000 (15) |
C8A | 0.035 (3) | 0.014 (2) | 0.019 (2) | 0.0000 (18) | 0.0083 (18) | −0.0010 (16) |
C9A | 0.041 (3) | 0.014 (2) | 0.019 (2) | 0.0058 (19) | 0.0057 (19) | 0.0034 (17) |
C10A | 0.080 (4) | 0.024 (2) | 0.037 (3) | 0.024 (3) | 0.022 (3) | 0.003 (2) |
C11A | 0.0134 (19) | 0.020 (2) | 0.016 (2) | −0.0002 (16) | 0.0057 (15) | −0.0004 (16) |
C12A | 0.019 (2) | 0.020 (2) | 0.023 (2) | −0.0019 (17) | 0.0081 (17) | −0.0028 (17) |
C13A | 0.023 (2) | 0.022 (2) | 0.026 (2) | −0.0031 (18) | 0.0080 (18) | −0.0087 (18) |
C14A | 0.020 (2) | 0.041 (3) | 0.019 (2) | −0.001 (2) | 0.0033 (17) | 0.0007 (19) |
C15A | 0.025 (2) | 0.026 (2) | 0.022 (2) | 0.0050 (19) | 0.0051 (18) | 0.0068 (18) |
C16A | 0.015 (2) | 0.019 (2) | 0.021 (2) | −0.0015 (16) | 0.0033 (16) | 0.0009 (16) |
C17A | 0.0098 (19) | 0.016 (2) | 0.019 (2) | −0.0008 (15) | 0.0034 (15) | −0.0021 (15) |
C18A | 0.018 (2) | 0.016 (2) | 0.021 (2) | 0.0002 (16) | 0.0055 (16) | 0.0054 (16) |
C19A | 0.017 (2) | 0.021 (2) | 0.025 (2) | 0.0066 (17) | 0.0055 (17) | −0.0017 (17) |
C20A | 0.018 (2) | 0.024 (2) | 0.021 (2) | −0.0013 (18) | 0.0031 (17) | −0.0058 (17) |
C21A | 0.023 (2) | 0.021 (2) | 0.018 (2) | 0.0017 (18) | −0.0035 (17) | −0.0015 (17) |
C22A | 0.017 (2) | 0.017 (2) | 0.021 (2) | 0.0043 (17) | 0.0022 (16) | −0.0028 (16) |
C23A | 0.019 (2) | 0.014 (2) | 0.025 (2) | 0.0019 (16) | 0.0075 (17) | −0.0022 (16) |
C24A | 0.018 (2) | 0.024 (2) | 0.023 (2) | −0.0007 (17) | 0.0018 (17) | −0.0063 (17) |
C25A | 0.017 (2) | 0.033 (3) | 0.028 (2) | −0.0005 (19) | 0.0078 (18) | −0.0018 (19) |
C26A | 0.025 (2) | 0.028 (2) | 0.030 (3) | 0.005 (2) | 0.0110 (19) | −0.0068 (19) |
C27A | 0.031 (3) | 0.037 (3) | 0.027 (2) | −0.004 (2) | 0.0034 (19) | −0.014 (2) |
C28A | 0.015 (2) | 0.027 (2) | 0.032 (3) | −0.0018 (18) | 0.0024 (18) | −0.0110 (19) |
C29A | 0.015 (2) | 0.018 (2) | 0.020 (2) | 0.0005 (16) | 0.0024 (16) | −0.0010 (16) |
C30A | 0.021 (2) | 0.019 (2) | 0.024 (2) | −0.0005 (17) | 0.0059 (17) | −0.0030 (17) |
C31A | 0.021 (2) | 0.033 (3) | 0.020 (2) | −0.0057 (19) | 0.0031 (17) | −0.0121 (19) |
C32A | 0.033 (3) | 0.047 (3) | 0.031 (3) | 0.002 (2) | −0.009 (2) | 0.009 (2) |
C33A | 0.067 (4) | 0.025 (3) | 0.061 (4) | −0.014 (3) | −0.034 (3) | 0.020 (2) |
C34A | 0.051 (3) | 0.019 (2) | 0.053 (3) | −0.011 (2) | −0.025 (3) | 0.003 (2) |
Ce1B | 0.01223 (11) | 0.00969 (10) | 0.01193 (10) | −0.00061 (9) | 0.00083 (8) | −0.00124 (9) |
P1B | 0.0123 (5) | 0.0121 (5) | 0.0128 (5) | −0.0002 (4) | 0.0003 (4) | −0.0008 (4) |
P2B | 0.0138 (5) | 0.0123 (5) | 0.0188 (5) | −0.0004 (4) | −0.0001 (4) | −0.0015 (4) |
O1B | 0.0241 (15) | 0.0197 (14) | 0.0166 (14) | 0.0000 (13) | −0.0005 (11) | −0.0041 (12) |
O2B | 0.0260 (17) | 0.0271 (16) | 0.0171 (15) | 0.0069 (13) | 0.0004 (13) | −0.0022 (12) |
O3B | 0.046 (2) | 0.0219 (16) | 0.0115 (15) | −0.0044 (14) | 0.0003 (13) | −0.0039 (12) |
O4B | 0.0201 (16) | 0.0187 (15) | 0.0210 (15) | −0.0025 (12) | 0.0001 (12) | 0.0037 (12) |
O5B | 0.0246 (16) | 0.0189 (15) | 0.0200 (16) | −0.0050 (13) | 0.0017 (12) | 0.0000 (12) |
O6B | 0.0305 (19) | 0.039 (2) | 0.045 (2) | −0.0193 (16) | 0.0022 (16) | 0.0156 (16) |
O7B | 0.0235 (16) | 0.0143 (14) | 0.0157 (14) | 0.0028 (12) | 0.0027 (12) | −0.0030 (11) |
O8B | 0.0198 (15) | 0.0142 (14) | 0.0149 (14) | 0.0037 (11) | −0.0033 (11) | −0.0013 (11) |
O9B | 0.0250 (17) | 0.0257 (17) | 0.0241 (16) | 0.0124 (13) | −0.0045 (13) | 0.0016 (13) |
O10B | 0.0228 (16) | 0.0157 (16) | 0.0163 (15) | 0.0060 (13) | −0.0039 (12) | −0.0033 (12) |
O11B | 0.0160 (14) | 0.0127 (14) | 0.0188 (15) | 0.0001 (11) | 0.0000 (11) | −0.0007 (11) |
O12B | 0.0148 (14) | 0.0151 (14) | 0.0170 (15) | 0.0013 (11) | −0.0012 (11) | −0.0014 (11) |
O13B | 0.0190 (15) | 0.0152 (14) | 0.0171 (14) | −0.0014 (12) | −0.0048 (11) | 0.0027 (11) |
O14B | 0.0217 (15) | 0.0152 (15) | 0.0219 (15) | −0.0032 (12) | −0.0023 (12) | −0.0052 (11) |
N1B | 0.030 (2) | 0.0129 (18) | 0.0141 (17) | −0.0077 (14) | 0.0035 (14) | −0.0003 (13) |
N2B | 0.0227 (19) | 0.0140 (18) | 0.025 (2) | −0.0023 (15) | 0.0029 (15) | 0.0037 (14) |
N3B | 0.0222 (19) | 0.0113 (16) | 0.0172 (17) | 0.0017 (14) | 0.0026 (14) | 0.0009 (13) |
N4B | 0.0121 (16) | 0.0155 (17) | 0.0149 (17) | 0.0001 (13) | −0.0037 (13) | 0.0030 (13) |
N5B | 0.0153 (17) | 0.0106 (16) | 0.0153 (17) | −0.0021 (13) | −0.0002 (13) | −0.0023 (13) |
N6B | 0.0173 (17) | 0.0113 (17) | 0.0201 (18) | −0.0036 (13) | −0.0016 (14) | −0.0046 (13) |
N7B | 0.0153 (18) | 0.0169 (18) | 0.0211 (19) | 0.0027 (14) | −0.0054 (15) | −0.0011 (14) |
C1B | 0.030 (2) | 0.019 (2) | 0.017 (2) | −0.0014 (18) | 0.0015 (18) | −0.0034 (16) |
C2B | 0.034 (3) | 0.025 (2) | 0.018 (2) | −0.007 (2) | −0.0037 (19) | −0.0027 (17) |
C3B | 0.0146 (19) | 0.0131 (19) | 0.0130 (19) | −0.0006 (15) | 0.0044 (15) | −0.0010 (14) |
C4B | 0.023 (2) | 0.015 (2) | 0.017 (2) | −0.0034 (17) | 0.0029 (16) | 0.0027 (15) |
C5B | 0.030 (2) | 0.014 (2) | 0.016 (2) | 0.0010 (18) | 0.0009 (17) | 0.0054 (16) |
C6B | 0.038 (3) | 0.022 (2) | 0.034 (3) | 0.005 (2) | −0.014 (2) | 0.009 (2) |
C7B | 0.019 (2) | 0.013 (2) | 0.022 (2) | 0.0026 (16) | 0.0035 (17) | −0.0021 (16) |
C8B | 0.030 (3) | 0.016 (2) | 0.035 (3) | 0.0001 (19) | −0.008 (2) | 0.0002 (19) |
C9B | 0.031 (3) | 0.017 (2) | 0.042 (3) | −0.001 (2) | −0.008 (2) | 0.002 (2) |
C10B | 0.057 (4) | 0.016 (3) | 0.085 (5) | −0.009 (2) | −0.029 (3) | −0.003 (3) |
C11B | 0.0121 (19) | 0.016 (2) | 0.017 (2) | 0.0011 (16) | 0.0009 (15) | −0.0041 (15) |
C12B | 0.018 (2) | 0.014 (2) | 0.016 (2) | −0.0005 (16) | 0.0041 (16) | −0.0001 (15) |
C13B | 0.016 (2) | 0.020 (2) | 0.024 (2) | −0.0029 (17) | −0.0041 (17) | −0.0066 (17) |
C14B | 0.018 (2) | 0.020 (2) | 0.022 (2) | 0.0039 (17) | −0.0057 (17) | −0.0061 (17) |
C15B | 0.029 (2) | 0.021 (2) | 0.014 (2) | 0.0013 (19) | −0.0006 (17) | −0.0024 (16) |
C16B | 0.017 (2) | 0.018 (2) | 0.017 (2) | 0.0014 (17) | 0.0003 (16) | −0.0010 (16) |
C17B | 0.0098 (18) | 0.018 (2) | 0.0106 (18) | 0.0012 (15) | −0.0010 (14) | −0.0008 (15) |
C18B | 0.013 (2) | 0.020 (2) | 0.020 (2) | −0.0015 (16) | −0.0011 (16) | −0.0046 (16) |
C19B | 0.016 (2) | 0.023 (2) | 0.022 (2) | 0.0042 (17) | 0.0010 (17) | −0.0067 (17) |
C20B | 0.024 (2) | 0.034 (3) | 0.012 (2) | 0.0024 (19) | 0.0048 (17) | 0.0014 (17) |
C21B | 0.026 (2) | 0.020 (2) | 0.022 (2) | 0.0000 (18) | 0.0037 (18) | 0.0050 (17) |
C22B | 0.017 (2) | 0.018 (2) | 0.017 (2) | −0.0011 (16) | 0.0018 (16) | −0.0030 (16) |
C23B | 0.014 (2) | 0.021 (2) | 0.021 (2) | 0.0010 (17) | 0.0006 (16) | −0.0016 (17) |
C24B | 0.038 (3) | 0.030 (3) | 0.022 (2) | 0.009 (2) | 0.007 (2) | 0.0032 (19) |
C25B | 0.052 (3) | 0.050 (3) | 0.024 (3) | 0.016 (3) | 0.012 (2) | 0.015 (2) |
C26B | 0.026 (3) | 0.060 (4) | 0.021 (2) | 0.005 (2) | 0.0069 (19) | −0.001 (2) |
C27B | 0.019 (2) | 0.050 (3) | 0.025 (3) | 0.005 (2) | −0.0027 (19) | −0.016 (2) |
C28B | 0.018 (2) | 0.027 (2) | 0.023 (2) | 0.0048 (18) | −0.0019 (17) | −0.0045 (18) |
C29B | 0.016 (2) | 0.0141 (19) | 0.018 (2) | −0.0028 (16) | −0.0023 (16) | 0.0008 (15) |
C30B | 0.019 (2) | 0.023 (2) | 0.024 (2) | 0.0017 (18) | 0.0016 (17) | −0.0058 (18) |
C31B | 0.014 (2) | 0.021 (2) | 0.036 (3) | 0.0012 (18) | −0.0003 (18) | −0.0035 (19) |
C32B | 0.021 (2) | 0.022 (2) | 0.027 (2) | −0.0065 (18) | −0.0072 (18) | −0.0009 (18) |
C33B | 0.024 (2) | 0.021 (2) | 0.026 (2) | −0.0006 (19) | 0.0019 (17) | −0.0039 (19) |
C34B | 0.015 (2) | 0.023 (2) | 0.024 (2) | 0.0001 (17) | 0.0026 (17) | −0.0015 (17) |
O1S | 0.0282 (18) | 0.0293 (18) | 0.0246 (18) | −0.0076 (15) | 0.0064 (14) | −0.0002 (14) |
C1S | 0.032 (3) | 0.041 (3) | 0.027 (3) | 0.000 (2) | 0.011 (2) | 0.004 (2) |
C2S | 0.044 (3) | 0.057 (4) | 0.029 (3) | −0.007 (3) | 0.004 (2) | −0.007 (2) |
O2S | 0.034 (2) | 0.044 (2) | 0.030 (2) | 0.0077 (17) | −0.0017 (16) | 0.0040 (16) |
C3S | 0.078 (6) | 0.033 (5) | 0.020 (4) | 0.007 (4) | −0.003 (4) | −0.003 (3) |
C4S | 0.129 (10) | 0.051 (6) | 0.067 (7) | 0.022 (6) | −0.067 (7) | −0.008 (5) |
Ce1A—O11A | 2.441 (3) | Ce1B—O7B | 2.713 (3) |
Ce1A—O12A | 2.450 (3) | Ce1B—N4B | 2.744 (3) |
Ce1A—O10A | 2.514 (3) | Ce1B—N1B | 3.016 (3) |
Ce1A—O2A | 2.549 (3) | P1B—O11B | 1.489 (3) |
Ce1A—O8A | 2.583 (3) | P1B—N5B | 1.655 (3) |
Ce1A—O1A | 2.593 (3) | P1B—C11B | 1.792 (4) |
Ce1A—O5A | 2.599 (3) | P1B—C17B | 1.795 (4) |
Ce1A—O4A | 2.651 (3) | P2B—O12B | 1.488 (3) |
Ce1A—O7A | 2.710 (3) | P2B—N7B | 1.653 (4) |
Ce1A—N4A | 2.712 (3) | P2B—C29B | 1.788 (4) |
Ce1A—N1A | 2.988 (3) | P2B—C23B | 1.806 (4) |
P1A—O11A | 1.498 (3) | O1B—N1B | 1.276 (4) |
P1A—N5A | 1.655 (3) | O2B—N1B | 1.270 (4) |
P1A—C17A | 1.793 (4) | O3B—N1B | 1.225 (4) |
P1A—C11A | 1.800 (4) | O4B—N2B | 1.259 (4) |
P2A—O12A | 1.492 (3) | O5B—N2B | 1.275 (4) |
P2A—N7A | 1.651 (4) | O6B—N2B | 1.228 (4) |
P2A—C23A | 1.788 (4) | O7B—N3B | 1.253 (4) |
P2A—C29A | 1.792 (4) | O8B—N3B | 1.279 (4) |
O1A—N1A | 1.260 (4) | O9B—N3B | 1.235 (4) |
O2A—N1A | 1.269 (4) | O10B—C1B | 1.451 (5) |
O3A—N1A | 1.227 (4) | O10B—H10W | 0.71 (5) |
O4A—N2A | 1.272 (5) | O13B—C5B | 1.352 (5) |
O5A—N2A | 1.256 (5) | O13B—N4B | 1.411 (4) |
O6A—N2A | 1.227 (5) | O14B—C9B | 1.350 (5) |
O7A—N3A | 1.266 (4) | O14B—N6B | 1.416 (4) |
O8A—N3A | 1.265 (4) | N4B—C3B | 1.317 (5) |
O9A—N3A | 1.235 (4) | N5B—C3B | 1.388 (5) |
O10A—C1'A | 1.38 (3) | N5B—H5B | 0.87 (5) |
O10A—C1A | 1.450 (6) | N6B—C7B | 1.310 (5) |
O10A—H10V | 0.73 (6) | N7B—C7B | 1.382 (5) |
O13A—C5A | 1.351 (5) | N7B—H7B | 0.76 (5) |
O13A—N4A | 1.415 (4) | C1B—C2B | 1.508 (6) |
O14A—C9A | 1.360 (5) | C1B—H1BA | 0.9900 |
O14A—N6A | 1.417 (4) | C1B—H1BB | 0.9900 |
N4A—C3A | 1.310 (5) | C2B—H2BA | 0.9800 |
N5A—C3A | 1.393 (5) | C2B—H2BB | 0.9800 |
N5A—H5A | 0.80 (5) | C2B—H2BC | 0.9800 |
N6A—C7A | 1.307 (5) | C3B—C4B | 1.418 (5) |
N7A—C7A | 1.397 (5) | C4B—C5B | 1.348 (6) |
N7A—H7A | 0.80 (4) | C4B—H4BA | 0.9500 |
C1A—C2A | 1.482 (7) | C5B—C6B | 1.497 (6) |
C1A—H1AA | 0.9900 | C6B—H6BA | 0.9800 |
C1A—H1AB | 0.9900 | C6B—H6BB | 0.9800 |
C2A—H2AA | 0.9800 | C6B—H6BC | 0.9800 |
C2A—H2AB | 0.9800 | C7B—C8B | 1.413 (6) |
C2A—H2AC | 0.9800 | C8B—C9B | 1.358 (6) |
C1'A—C2'A | 1.55 (4) | C8B—H8BA | 0.9500 |
C1'A—H1'A | 0.9900 | C9B—C10B | 1.495 (6) |
C1'A—H1'B | 0.9900 | C10B—H10D | 0.9800 |
C2'A—H2'A | 0.9800 | C10B—H10E | 0.9800 |
C2'A—H2'B | 0.9800 | C10B—H10F | 0.9800 |
C2'A—H2'C | 0.9800 | C11B—C16B | 1.402 (5) |
C3A—C4A | 1.403 (5) | C11B—C12B | 1.403 (5) |
C4A—C5A | 1.355 (6) | C12B—C13B | 1.384 (5) |
C4A—H4AA | 0.9500 | C12B—H12B | 0.9500 |
C5A—C6A | 1.467 (6) | C13B—C14B | 1.391 (6) |
C6A—H6AA | 0.9800 | C13B—H13B | 0.9500 |
C6A—H6AB | 0.9800 | C14B—C15B | 1.380 (6) |
C6A—H6AC | 0.9800 | C14B—H14B | 0.9500 |
C7A—C8A | 1.410 (5) | C15B—C16B | 1.386 (5) |
C8A—C9A | 1.345 (6) | C15B—H15B | 0.9500 |
C8A—H8AA | 0.9500 | C16B—H16B | 0.9500 |
C9A—C10A | 1.490 (6) | C17B—C18B | 1.393 (5) |
C10A—H10A | 0.9800 | C17B—C22B | 1.404 (5) |
C10A—H10B | 0.9800 | C18B—C19B | 1.388 (6) |
C10A—H10C | 0.9800 | C18B—H18B | 0.9500 |
C11A—C16A | 1.399 (6) | C19B—C20B | 1.395 (6) |
C11A—C12A | 1.401 (5) | C19B—H19B | 0.9500 |
C12A—C13A | 1.393 (6) | C20B—C21B | 1.391 (6) |
C12A—H12A | 0.9500 | C20B—H20B | 0.9500 |
C13A—C14A | 1.381 (6) | C21B—C22B | 1.385 (6) |
C13A—H13A | 0.9500 | C21B—H21B | 0.9500 |
C14A—C15A | 1.393 (6) | C22B—H22B | 0.9500 |
C14A—H14A | 0.9500 | C23B—C24B | 1.379 (6) |
C15A—C16A | 1.389 (6) | C23B—C28B | 1.400 (6) |
C15A—H15A | 0.9500 | C24B—C25B | 1.394 (6) |
C16A—H16A | 0.9500 | C24B—H24B | 0.9500 |
C17A—C18A | 1.390 (5) | C25B—C26B | 1.380 (7) |
C17A—C22A | 1.396 (6) | C25B—H25B | 0.9500 |
C18A—C19A | 1.384 (6) | C26B—C27B | 1.377 (7) |
C18A—H18A | 0.9500 | C26B—H26B | 0.9500 |
C19A—C20A | 1.393 (6) | C27B—C28B | 1.382 (6) |
C19A—H19A | 0.9500 | C27B—H27B | 0.9500 |
C20A—C21A | 1.388 (6) | C28B—H28B | 0.9500 |
C20A—H20A | 0.9500 | C29B—C30B | 1.391 (6) |
C21A—C22A | 1.377 (6) | C29B—C34B | 1.391 (6) |
C21A—H21A | 0.9500 | C30B—C31B | 1.392 (6) |
C22A—H22A | 0.9500 | C30B—H30B | 0.9500 |
C23A—C28A | 1.383 (6) | C31B—C32B | 1.376 (6) |
C23A—C24A | 1.401 (6) | C31B—H31B | 0.9500 |
C24A—C25A | 1.379 (6) | C32B—C33B | 1.394 (6) |
C24A—H24A | 0.9500 | C32B—H32B | 0.9500 |
C25A—C26A | 1.380 (6) | C33B—C34B | 1.378 (6) |
C25A—H25A | 0.9500 | C33B—H33B | 0.9500 |
C26A—C27A | 1.384 (6) | C34B—H34B | 0.9500 |
C26A—H26A | 0.9500 | O1S—C1S | 1.432 (5) |
C27A—C28A | 1.384 (6) | O1S—H1S | 0.82 (6) |
C27A—H27A | 0.9500 | C1S—C2S | 1.483 (7) |
C28A—H28A | 0.9500 | C1S—H1SA | 0.9900 |
C29A—C30A | 1.383 (6) | C1S—H1SB | 0.9900 |
C29A—C34A | 1.391 (6) | C2S—H2SA | 0.9800 |
C30A—C31A | 1.385 (6) | C2S—H2SB | 0.9800 |
C30A—H30A | 0.9500 | C2S—H2SC | 0.9800 |
C31A—C32A | 1.378 (7) | O2S—C3S | 1.449 (8) |
C31A—H31A | 0.9500 | O2S—C3S' | 1.47 (3) |
C32A—C33A | 1.382 (7) | O2S—H2S | 0.83 (6) |
C32A—H32A | 0.9500 | C3S—C4S | 1.447 (11) |
C33A—C34A | 1.387 (7) | C3S—H3SA | 0.9900 |
C33A—H33A | 0.9500 | C3S—H3SB | 0.9900 |
C34A—H34A | 0.9500 | C4S—H4SA | 0.9800 |
Ce1B—O12B | 2.431 (3) | C4S—H4SB | 0.9800 |
Ce1B—O11B | 2.443 (3) | C4S—H4SC | 0.9800 |
Ce1B—O10B | 2.513 (3) | C3S'—C4S' | 1.36 (3) |
Ce1B—O8B | 2.571 (3) | C3S'—H3SC | 0.9900 |
Ce1B—O2B | 2.574 (3) | C3S'—H3SD | 0.9900 |
Ce1B—O1B | 2.607 (3) | C4S'—H4SD | 0.9800 |
Ce1B—O4B | 2.613 (3) | C4S'—H4SE | 0.9800 |
Ce1B—O5B | 2.654 (3) | C4S'—H4SF | 0.9800 |
O11A—Ce1A—O12A | 139.65 (9) | O8B—Ce1B—O1B | 109.46 (9) |
O11A—Ce1A—O10A | 82.09 (10) | O2B—Ce1B—O1B | 49.38 (9) |
O12A—Ce1A—O10A | 71.31 (9) | O12B—Ce1B—O4B | 73.99 (9) |
O11A—Ce1A—O2A | 77.65 (9) | O11B—Ce1B—O4B | 132.41 (9) |
O12A—Ce1A—O2A | 120.53 (9) | O10B—Ce1B—O4B | 83.07 (9) |
O10A—Ce1A—O2A | 158.06 (10) | O8B—Ce1B—O4B | 75.79 (9) |
O11A—Ce1A—O8A | 72.19 (9) | O2B—Ce1B—O4B | 116.82 (9) |
O12A—Ce1A—O8A | 147.07 (9) | O1B—Ce1B—O4B | 112.48 (9) |
O10A—Ce1A—O8A | 116.45 (9) | O12B—Ce1B—O5B | 74.27 (9) |
O2A—Ce1A—O8A | 64.95 (9) | O11B—Ce1B—O5B | 144.12 (9) |
O11A—Ce1A—O1A | 110.19 (9) | O10B—Ce1B—O5B | 126.59 (10) |
O12A—Ce1A—O1A | 71.63 (9) | O8B—Ce1B—O5B | 75.33 (9) |
O10A—Ce1A—O1A | 133.45 (10) | O2B—Ce1B—O5B | 74.51 (9) |
O2A—Ce1A—O1A | 49.55 (9) | O1B—Ce1B—O5B | 67.43 (9) |
O8A—Ce1A—O1A | 110.00 (8) | O4B—Ce1B—O5B | 48.40 (9) |
O11A—Ce1A—O5A | 131.46 (9) | O12B—Ce1B—O7B | 126.36 (9) |
O12A—Ce1A—O5A | 77.32 (9) | O11B—Ce1B—O7B | 66.78 (9) |
O10A—Ce1A—O5A | 86.04 (10) | O10B—Ce1B—O7B | 69.96 (9) |
O2A—Ce1A—O5A | 113.79 (9) | O8B—Ce1B—O7B | 48.39 (8) |
O8A—Ce1A—O5A | 71.68 (9) | O2B—Ce1B—O7B | 110.25 (9) |
O1A—Ce1A—O5A | 111.95 (9) | O1B—Ce1B—O7B | 157.83 (8) |
O11A—Ce1A—O4A | 142.48 (9) | O4B—Ce1B—O7B | 65.67 (9) |
O12A—Ce1A—O4A | 76.62 (9) | O5B—Ce1B—O7B | 101.14 (9) |
O10A—Ce1A—O4A | 129.36 (10) | O12B—Ce1B—N4B | 76.43 (9) |
O2A—Ce1A—O4A | 72.58 (10) | O11B—Ce1B—N4B | 68.07 (9) |
O8A—Ce1A—O4A | 74.77 (9) | O10B—Ce1B—N4B | 73.47 (10) |
O1A—Ce1A—O4A | 65.64 (9) | O8B—Ce1B—N4B | 136.15 (9) |
O5A—Ce1A—O4A | 48.79 (9) | O2B—Ce1B—N4B | 90.64 (10) |
O11A—Ce1A—O7A | 66.82 (9) | O1B—Ce1B—N4B | 70.36 (9) |
O12A—Ce1A—O7A | 125.40 (9) | O4B—Ce1B—N4B | 146.80 (9) |
O10A—Ce1A—O7A | 68.12 (9) | O5B—Ce1B—N4B | 134.51 (9) |
O2A—Ce1A—O7A | 110.52 (9) | O7B—Ce1B—N4B | 124.27 (9) |
O8A—Ce1A—O7A | 48.39 (8) | O12B—Ce1B—N1B | 94.47 (9) |
O1A—Ce1A—O7A | 158.39 (9) | O11B—Ce1B—N1B | 96.45 (9) |
O5A—Ce1A—O7A | 65.07 (9) | O10B—Ce1B—N1B | 153.70 (9) |
O4A—Ce1A—O7A | 102.97 (9) | O8B—Ce1B—N1B | 85.83 (9) |
O11A—Ce1A—N4A | 68.17 (9) | O2B—Ce1B—N1B | 24.67 (9) |
O12A—Ce1A—N4A | 75.72 (9) | O1B—Ce1B—N1B | 24.90 (9) |
O10A—Ce1A—N4A | 74.67 (10) | O4B—Ce1B—N1B | 115.09 (9) |
O2A—Ce1A—N4A | 89.90 (10) | O5B—Ce1B—N1B | 66.82 (9) |
O8A—Ce1A—N4A | 136.73 (9) | O7B—Ce1B—N1B | 133.76 (9) |
O1A—Ce1A—N4A | 69.70 (9) | N4B—Ce1B—N1B | 81.77 (9) |
O5A—Ce1A—N4A | 150.71 (9) | O11B—P1B—N5B | 112.82 (16) |
O4A—Ce1A—N4A | 132.82 (9) | O11B—P1B—C11B | 112.14 (17) |
O7A—Ce1A—N4A | 124.20 (9) | N5B—P1B—C11B | 102.55 (17) |
O11A—Ce1A—N1A | 95.90 (9) | O11B—P1B—C17B | 109.45 (17) |
O12A—Ce1A—N1A | 95.68 (10) | N5B—P1B—C17B | 107.40 (18) |
O10A—Ce1A—N1A | 154.55 (10) | C11B—P1B—C17B | 112.27 (18) |
O2A—Ce1A—N1A | 24.92 (9) | O12B—P2B—N7B | 115.23 (17) |
O8A—Ce1A—N1A | 86.54 (9) | O12B—P2B—C29B | 111.74 (17) |
O1A—Ce1A—N1A | 24.83 (9) | N7B—P2B—C29B | 101.03 (18) |
O5A—Ce1A—N1A | 113.03 (9) | O12B—P2B—C23B | 110.94 (17) |
O4A—Ce1A—N1A | 64.63 (9) | N7B—P2B—C23B | 106.88 (19) |
O7A—Ce1A—N1A | 134.31 (9) | C29B—P2B—C23B | 110.53 (19) |
N4A—Ce1A—N1A | 81.01 (10) | N1B—O1B—Ce1B | 95.8 (2) |
O11A—P1A—N5A | 112.36 (17) | N1B—O2B—Ce1B | 97.5 (2) |
O11A—P1A—C17A | 112.12 (17) | N2B—O4B—Ce1B | 98.0 (2) |
N5A—P1A—C17A | 102.06 (18) | N2B—O5B—Ce1B | 95.7 (2) |
O11A—P1A—C11A | 109.80 (18) | N3B—O7B—Ce1B | 92.6 (2) |
N5A—P1A—C11A | 106.78 (18) | N3B—O8B—Ce1B | 98.7 (2) |
C17A—P1A—C11A | 113.43 (18) | C1B—O10B—Ce1B | 141.7 (2) |
O12A—P2A—N7A | 115.42 (17) | C1B—O10B—H10W | 109 (4) |
O12A—P2A—C23A | 113.13 (18) | Ce1B—O10B—H10W | 107 (4) |
N7A—P2A—C23A | 100.66 (19) | P1B—O11B—Ce1B | 137.24 (16) |
O12A—P2A—C29A | 111.20 (18) | P2B—O12B—Ce1B | 170.54 (17) |
N7A—P2A—C29A | 108.09 (19) | C5B—O13B—N4B | 108.0 (3) |
C23A—P2A—C29A | 107.61 (19) | C9B—O14B—N6B | 108.1 (3) |
N1A—O1A—Ce1A | 95.4 (2) | O3B—N1B—O2B | 121.9 (4) |
N1A—O2A—Ce1A | 97.3 (2) | O3B—N1B—O1B | 121.6 (3) |
N2A—O4A—Ce1A | 95.0 (2) | O2B—N1B—O1B | 116.5 (3) |
N2A—O5A—Ce1A | 97.9 (2) | O3B—N1B—Ce1B | 171.4 (3) |
N3A—O7A—Ce1A | 93.0 (2) | O2B—N1B—Ce1B | 57.82 (18) |
N3A—O8A—Ce1A | 99.1 (2) | O1B—N1B—Ce1B | 59.34 (18) |
C1'A—O10A—C1A | 31.5 (12) | O6B—N2B—O4B | 122.0 (4) |
C1'A—O10A—Ce1A | 143.4 (12) | O6B—N2B—O5B | 121.1 (4) |
C1A—O10A—Ce1A | 138.3 (3) | O4B—N2B—O5B | 116.9 (3) |
C1'A—O10A—H10V | 102 (5) | O9B—N3B—O7B | 121.7 (3) |
C1A—O10A—H10V | 107 (5) | O9B—N3B—O8B | 120.4 (3) |
Ce1A—O10A—H10V | 111 (5) | O7B—N3B—O8B | 117.9 (3) |
P1A—O11A—Ce1A | 137.63 (16) | C3B—N4B—O13B | 105.0 (3) |
P2A—O12A—Ce1A | 171.02 (17) | C3B—N4B—Ce1B | 130.6 (2) |
C5A—O13A—N4A | 108.7 (3) | O13B—N4B—Ce1B | 121.7 (2) |
C9A—O14A—N6A | 107.8 (3) | C3B—N5B—P1B | 120.3 (3) |
O3A—N1A—O1A | 121.9 (4) | C3B—N5B—H5B | 114 (4) |
O3A—N1A—O2A | 121.3 (4) | P1B—N5B—H5B | 124 (4) |
O1A—N1A—O2A | 116.8 (3) | C7B—N6B—O14B | 104.7 (3) |
O3A—N1A—Ce1A | 170.8 (3) | C7B—N7B—P2B | 125.4 (3) |
O1A—N1A—Ce1A | 59.74 (17) | C7B—N7B—H7B | 117 (4) |
O2A—N1A—Ce1A | 57.78 (18) | P2B—N7B—H7B | 117 (4) |
O6A—N2A—O5A | 121.4 (4) | O10B—C1B—C2B | 111.7 (3) |
O6A—N2A—O4A | 120.4 (4) | O10B—C1B—H1BA | 109.3 |
O5A—N2A—O4A | 118.2 (3) | C2B—C1B—H1BA | 109.3 |
O9A—N3A—O8A | 121.2 (3) | O10B—C1B—H1BB | 109.3 |
O9A—N3A—O7A | 120.6 (3) | C2B—C1B—H1BB | 109.3 |
O8A—N3A—O7A | 118.2 (3) | H1BA—C1B—H1BB | 107.9 |
C3A—N4A—O13A | 104.7 (3) | C1B—C2B—H2BA | 109.5 |
C3A—N4A—Ce1A | 132.3 (2) | C1B—C2B—H2BB | 109.5 |
O13A—N4A—Ce1A | 119.0 (2) | H2BA—C2B—H2BB | 109.5 |
C3A—N5A—P1A | 120.5 (3) | C1B—C2B—H2BC | 109.5 |
C3A—N5A—H5A | 120 (3) | H2BA—C2B—H2BC | 109.5 |
P1A—N5A—H5A | 118 (3) | H2BB—C2B—H2BC | 109.5 |
C7A—N6A—O14A | 105.0 (3) | N4B—C3B—N5B | 119.7 (3) |
C7A—N7A—P2A | 125.9 (3) | N4B—C3B—C4B | 112.6 (3) |
C7A—N7A—H7A | 117 (3) | N5B—C3B—C4B | 127.7 (3) |
P2A—N7A—H7A | 117 (3) | C5B—C4B—C3B | 103.3 (4) |
O10A—C1A—C2A | 113.6 (5) | C5B—C4B—H4BA | 128.3 |
O10A—C1A—H1AA | 108.9 | C3B—C4B—H4BA | 128.3 |
C2A—C1A—H1AA | 108.9 | C4B—C5B—O13B | 111.1 (3) |
O10A—C1A—H1AB | 108.9 | C4B—C5B—C6B | 133.2 (4) |
C2A—C1A—H1AB | 108.9 | O13B—C5B—C6B | 115.6 (4) |
H1AA—C1A—H1AB | 107.7 | C5B—C6B—H6BA | 109.5 |
O10A—C1'A—C2'A | 108 (2) | C5B—C6B—H6BB | 109.5 |
O10A—C1'A—H1'A | 110.0 | H6BA—C6B—H6BB | 109.5 |
C2'A—C1'A—H1'A | 110.0 | C5B—C6B—H6BC | 109.5 |
O10A—C1'A—H1'B | 110.0 | H6BA—C6B—H6BC | 109.5 |
C2'A—C1'A—H1'B | 110.0 | H6BB—C6B—H6BC | 109.5 |
H1'A—C1'A—H1'B | 108.4 | N6B—C7B—N7B | 120.5 (4) |
C1'A—C2'A—H2'A | 109.5 | N6B—C7B—C8B | 113.3 (4) |
C1'A—C2'A—H2'B | 109.5 | N7B—C7B—C8B | 126.1 (4) |
H2'A—C2'A—H2'B | 109.5 | C9B—C8B—C7B | 103.0 (4) |
C1'A—C2'A—H2'C | 109.5 | C9B—C8B—H8BA | 128.5 |
H2'A—C2'A—H2'C | 109.5 | C7B—C8B—H8BA | 128.5 |
H2'B—C2'A—H2'C | 109.5 | O14B—C9B—C8B | 110.9 (4) |
N4A—C3A—N5A | 119.4 (3) | O14B—C9B—C10B | 115.6 (4) |
N4A—C3A—C4A | 112.6 (3) | C8B—C9B—C10B | 133.5 (4) |
N5A—C3A—C4A | 128.0 (4) | C9B—C10B—H10D | 109.5 |
C5A—C4A—C3A | 104.5 (4) | C9B—C10B—H10E | 109.5 |
C5A—C4A—H4AA | 127.8 | H10D—C10B—H10E | 109.5 |
C3A—C4A—H4AA | 127.8 | C9B—C10B—H10F | 109.5 |
O13A—C5A—C4A | 109.4 (3) | H10D—C10B—H10F | 109.5 |
O13A—C5A—C6A | 116.3 (4) | H10E—C10B—H10F | 109.5 |
C4A—C5A—C6A | 134.3 (4) | C16B—C11B—C12B | 119.7 (4) |
C5A—C6A—H6AA | 109.5 | C16B—C11B—P1B | 117.2 (3) |
C5A—C6A—H6AB | 109.5 | C12B—C11B—P1B | 123.1 (3) |
H6AA—C6A—H6AB | 109.5 | C13B—C12B—C11B | 119.7 (4) |
C5A—C6A—H6AC | 109.5 | C13B—C12B—H12B | 120.2 |
H6AA—C6A—H6AC | 109.5 | C11B—C12B—H12B | 120.2 |
H6AB—C6A—H6AC | 109.5 | C12B—C13B—C14B | 120.0 (4) |
N6A—C7A—N7A | 120.2 (4) | C12B—C13B—H13B | 120.0 |
N6A—C7A—C8A | 112.8 (4) | C14B—C13B—H13B | 120.0 |
N7A—C7A—C8A | 127.0 (4) | C15B—C14B—C13B | 120.7 (4) |
C9A—C8A—C7A | 104.0 (4) | C15B—C14B—H14B | 119.6 |
C9A—C8A—H8AA | 128.0 | C13B—C14B—H14B | 119.6 |
C7A—C8A—H8AA | 128.0 | C14B—C15B—C16B | 119.9 (4) |
C8A—C9A—O14A | 110.4 (4) | C14B—C15B—H15B | 120.0 |
C8A—C9A—C10A | 134.3 (4) | C16B—C15B—H15B | 120.0 |
O14A—C9A—C10A | 115.2 (4) | C15B—C16B—C11B | 120.0 (4) |
C9A—C10A—H10A | 109.5 | C15B—C16B—H16B | 120.0 |
C9A—C10A—H10B | 109.5 | C11B—C16B—H16B | 120.0 |
H10A—C10A—H10B | 109.5 | C18B—C17B—C22B | 119.9 (4) |
C9A—C10A—H10C | 109.5 | C18B—C17B—P1B | 119.4 (3) |
H10A—C10A—H10C | 109.5 | C22B—C17B—P1B | 120.6 (3) |
H10B—C10A—H10C | 109.5 | C19B—C18B—C17B | 120.0 (4) |
C16A—C11A—C12A | 120.4 (4) | C19B—C18B—H18B | 120.0 |
C16A—C11A—P1A | 120.8 (3) | C17B—C18B—H18B | 120.0 |
C12A—C11A—P1A | 118.7 (3) | C18B—C19B—C20B | 120.2 (4) |
C13A—C12A—C11A | 119.2 (4) | C18B—C19B—H19B | 119.9 |
C13A—C12A—H12A | 120.4 | C20B—C19B—H19B | 119.9 |
C11A—C12A—H12A | 120.4 | C21B—C20B—C19B | 119.8 (4) |
C14A—C13A—C12A | 120.5 (4) | C21B—C20B—H20B | 120.1 |
C14A—C13A—H13A | 119.7 | C19B—C20B—H20B | 120.1 |
C12A—C13A—H13A | 119.7 | C22B—C21B—C20B | 120.5 (4) |
C13A—C14A—C15A | 120.2 (4) | C22B—C21B—H21B | 119.7 |
C13A—C14A—H14A | 119.9 | C20B—C21B—H21B | 119.7 |
C15A—C14A—H14A | 119.9 | C21B—C22B—C17B | 119.6 (4) |
C16A—C15A—C14A | 120.3 (4) | C21B—C22B—H22B | 120.2 |
C16A—C15A—H15A | 119.8 | C17B—C22B—H22B | 120.2 |
C14A—C15A—H15A | 119.8 | C24B—C23B—C28B | 120.1 (4) |
C15A—C16A—C11A | 119.4 (4) | C24B—C23B—P2B | 119.4 (3) |
C15A—C16A—H16A | 120.3 | C28B—C23B—P2B | 120.5 (3) |
C11A—C16A—H16A | 120.3 | C23B—C24B—C25B | 119.8 (4) |
C18A—C17A—C22A | 120.5 (4) | C23B—C24B—H24B | 120.1 |
C18A—C17A—P1A | 122.4 (3) | C25B—C24B—H24B | 120.1 |
C22A—C17A—P1A | 116.9 (3) | C26B—C25B—C24B | 120.4 (5) |
C19A—C18A—C17A | 119.4 (4) | C26B—C25B—H25B | 119.8 |
C19A—C18A—H18A | 120.3 | C24B—C25B—H25B | 119.8 |
C17A—C18A—H18A | 120.3 | C27B—C26B—C25B | 119.4 (4) |
C18A—C19A—C20A | 120.6 (4) | C27B—C26B—H26B | 120.3 |
C18A—C19A—H19A | 119.7 | C25B—C26B—H26B | 120.3 |
C20A—C19A—H19A | 119.7 | C26B—C27B—C28B | 121.4 (4) |
C21A—C20A—C19A | 119.3 (4) | C26B—C27B—H27B | 119.3 |
C21A—C20A—H20A | 120.4 | C28B—C27B—H27B | 119.3 |
C19A—C20A—H20A | 120.4 | C27B—C28B—C23B | 118.9 (4) |
C22A—C21A—C20A | 121.0 (4) | C27B—C28B—H28B | 120.5 |
C22A—C21A—H21A | 119.5 | C23B—C28B—H28B | 120.5 |
C20A—C21A—H21A | 119.5 | C30B—C29B—C34B | 120.5 (4) |
C21A—C22A—C17A | 119.3 (4) | C30B—C29B—P2B | 120.3 (3) |
C21A—C22A—H22A | 120.4 | C34B—C29B—P2B | 118.9 (3) |
C17A—C22A—H22A | 120.4 | C29B—C30B—C31B | 119.2 (4) |
C28A—C23A—C24A | 120.4 (4) | C29B—C30B—H30B | 120.4 |
C28A—C23A—P2A | 120.5 (3) | C31B—C30B—H30B | 120.4 |
C24A—C23A—P2A | 119.0 (3) | C32B—C31B—C30B | 120.4 (4) |
C25A—C24A—C23A | 119.6 (4) | C32B—C31B—H31B | 119.8 |
C25A—C24A—H24A | 120.2 | C30B—C31B—H31B | 119.8 |
C23A—C24A—H24A | 120.2 | C31B—C32B—C33B | 120.1 (4) |
C24A—C25A—C26A | 120.0 (4) | C31B—C32B—H32B | 120.0 |
C24A—C25A—H25A | 120.0 | C33B—C32B—H32B | 120.0 |
C26A—C25A—H25A | 120.0 | C34B—C33B—C32B | 120.1 (4) |
C25A—C26A—C27A | 120.2 (4) | C34B—C33B—H33B | 119.9 |
C25A—C26A—H26A | 119.9 | C32B—C33B—H33B | 119.9 |
C27A—C26A—H26A | 119.9 | C33B—C34B—C29B | 119.7 (4) |
C28A—C27A—C26A | 120.6 (4) | C33B—C34B—H34B | 120.2 |
C28A—C27A—H27A | 119.7 | C29B—C34B—H34B | 120.2 |
C26A—C27A—H27A | 119.7 | C1S—O1S—H1S | 110 (4) |
C23A—C28A—C27A | 119.2 (4) | O1S—C1S—C2S | 108.9 (4) |
C23A—C28A—H28A | 120.4 | O1S—C1S—H1SA | 109.9 |
C27A—C28A—H28A | 120.4 | C2S—C1S—H1SA | 109.9 |
C30A—C29A—C34A | 118.8 (4) | O1S—C1S—H1SB | 109.9 |
C30A—C29A—P2A | 123.2 (3) | C2S—C1S—H1SB | 109.9 |
C34A—C29A—P2A | 117.8 (3) | H1SA—C1S—H1SB | 108.3 |
C29A—C30A—C31A | 120.5 (4) | C1S—C2S—H2SA | 109.5 |
C29A—C30A—H30A | 119.8 | C1S—C2S—H2SB | 109.5 |
C31A—C30A—H30A | 119.8 | H2SA—C2S—H2SB | 109.5 |
C32A—C31A—C30A | 120.5 (4) | C1S—C2S—H2SC | 109.5 |
C32A—C31A—H31A | 119.8 | H2SA—C2S—H2SC | 109.5 |
C30A—C31A—H31A | 119.8 | H2SB—C2S—H2SC | 109.5 |
C31A—C32A—C33A | 119.6 (4) | C3S—O2S—C3S' | 33.3 (10) |
C31A—C32A—H32A | 120.2 | C3S—O2S—H2S | 104 (4) |
C33A—C32A—H32A | 120.2 | C3S'—O2S—H2S | 108 (4) |
C32A—C33A—C34A | 120.0 (5) | C4S—C3S—O2S | 112.7 (7) |
C32A—C33A—H33A | 120.0 | C4S—C3S—H3SA | 109.1 |
C34A—C33A—H33A | 120.0 | O2S—C3S—H3SA | 109.1 |
C33A—C34A—C29A | 120.6 (4) | C4S—C3S—H3SB | 109.1 |
C33A—C34A—H34A | 119.7 | O2S—C3S—H3SB | 109.1 |
C29A—C34A—H34A | 119.7 | H3SA—C3S—H3SB | 107.8 |
O12B—Ce1B—O11B | 140.75 (9) | C4S'—C3S'—O2S | 116 (2) |
O12B—Ce1B—O10B | 71.49 (9) | C4S'—C3S'—H3SC | 108.3 |
O11B—Ce1B—O10B | 82.60 (9) | O2S—C3S'—H3SC | 108.3 |
O12B—Ce1B—O8B | 146.69 (9) | C4S'—C3S'—H3SD | 108.3 |
O11B—Ce1B—O8B | 71.84 (9) | O2S—C3S'—H3SD | 108.3 |
O10B—Ce1B—O8B | 118.25 (9) | H3SC—C3S'—H3SD | 107.4 |
O12B—Ce1B—O2B | 119.01 (9) | C3S'—C4S'—H4SD | 109.5 |
O11B—Ce1B—O2B | 78.48 (9) | C3S'—C4S'—H4SE | 109.5 |
O10B—Ce1B—O2B | 158.86 (10) | H4SD—C4S'—H4SE | 109.5 |
O8B—Ce1B—O2B | 64.27 (9) | C3S'—C4S'—H4SF | 109.5 |
O12B—Ce1B—O1B | 70.47 (9) | H4SD—C4S'—H4SF | 109.5 |
O11B—Ce1B—O1B | 110.71 (9) | H4SE—C4S'—H4SF | 109.5 |
O10B—Ce1B—O1B | 132.19 (10) | ||
O11A—Ce1A—O1A—N1A | 57.7 (2) | C30A—C31A—C32A—C33A | 1.2 (8) |
O12A—Ce1A—O1A—N1A | −165.1 (2) | C31A—C32A—C33A—C34A | −0.6 (9) |
O10A—Ce1A—O1A—N1A | 156.1 (2) | C32A—C33A—C34A—C29A | −0.4 (10) |
O2A—Ce1A—O1A—N1A | 5.5 (2) | C30A—C29A—C34A—C33A | 0.7 (8) |
O8A—Ce1A—O1A—N1A | −20.0 (2) | P2A—C29A—C34A—C33A | −175.0 (5) |
O5A—Ce1A—O1A—N1A | −97.7 (2) | O12B—Ce1B—O1B—N1B | 163.8 (2) |
O4A—Ce1A—O1A—N1A | −81.9 (2) | O11B—Ce1B—O1B—N1B | −58.0 (2) |
O7A—Ce1A—O1A—N1A | −20.1 (4) | O10B—Ce1B—O1B—N1B | −157.1 (2) |
N4A—Ce1A—O1A—N1A | 113.8 (2) | O8B—Ce1B—O1B—N1B | 19.2 (2) |
O11A—Ce1A—O2A—N1A | −136.1 (2) | O2B—Ce1B—O1B—N1B | −5.30 (19) |
O12A—Ce1A—O2A—N1A | 4.8 (3) | O4B—Ce1B—O1B—N1B | 101.5 (2) |
O10A—Ce1A—O2A—N1A | −113.1 (3) | O5B—Ce1B—O1B—N1B | 83.3 (2) |
O8A—Ce1A—O2A—N1A | 148.0 (3) | O7B—Ce1B—O1B—N1B | 21.0 (4) |
O1A—Ce1A—O2A—N1A | −5.5 (2) | N4B—Ce1B—O1B—N1B | −114.1 (2) |
O5A—Ce1A—O2A—N1A | 93.8 (2) | O12B—Ce1B—O2B—N1B | −6.4 (2) |
O4A—Ce1A—O2A—N1A | 67.0 (2) | O11B—Ce1B—O2B—N1B | 135.9 (2) |
O7A—Ce1A—O2A—N1A | 164.7 (2) | O10B—Ce1B—O2B—N1B | 109.0 (3) |
N4A—Ce1A—O2A—N1A | −68.5 (2) | O8B—Ce1B—O2B—N1B | −148.9 (2) |
O11A—Ce1A—O4A—N2A | 109.8 (2) | O1B—Ce1B—O2B—N1B | 5.35 (19) |
O12A—Ce1A—O4A—N2A | −82.7 (2) | O4B—Ce1B—O2B—N1B | −92.2 (2) |
O10A—Ce1A—O4A—N2A | −31.1 (3) | O5B—Ce1B—O2B—N1B | −68.0 (2) |
O2A—Ce1A—O4A—N2A | 148.8 (2) | O7B—Ce1B—O2B—N1B | −164.4 (2) |
O8A—Ce1A—O4A—N2A | 80.8 (2) | N4B—Ce1B—O2B—N1B | 68.4 (2) |
O1A—Ce1A—O4A—N2A | −158.3 (3) | O12B—Ce1B—O4B—N2B | −77.1 (2) |
O5A—Ce1A—O4A—N2A | 2.0 (2) | O11B—Ce1B—O4B—N2B | 136.9 (2) |
O7A—Ce1A—O4A—N2A | 41.1 (2) | O10B—Ce1B—O4B—N2B | −149.7 (2) |
N4A—Ce1A—O4A—N2A | −138.2 (2) | O8B—Ce1B—O4B—N2B | 88.7 (2) |
N1A—Ce1A—O4A—N2A | 174.3 (3) | O2B—Ce1B—O4B—N2B | 37.8 (2) |
O11A—Ce1A—O5A—N2A | −131.4 (2) | O1B—Ce1B—O4B—N2B | −16.8 (2) |
O12A—Ce1A—O5A—N2A | 81.1 (2) | O5B—Ce1B—O4B—N2B | 5.9 (2) |
O10A—Ce1A—O5A—N2A | 152.8 (2) | O7B—Ce1B—O4B—N2B | 139.1 (2) |
O2A—Ce1A—O5A—N2A | −36.9 (3) | N4B—Ce1B—O4B—N2B | −104.9 (2) |
O8A—Ce1A—O5A—N2A | −87.6 (2) | N1B—Ce1B—O4B—N2B | 10.4 (2) |
O1A—Ce1A—O5A—N2A | 17.2 (3) | O12B—Ce1B—O5B—N2B | 76.6 (2) |
O4A—Ce1A—O5A—N2A | −2.1 (2) | O11B—Ce1B—O5B—N2B | −113.9 (2) |
O7A—Ce1A—O5A—N2A | −139.5 (2) | O10B—Ce1B—O5B—N2B | 24.9 (3) |
N4A—Ce1A—O5A—N2A | 104.5 (3) | O8B—Ce1B—O5B—N2B | −89.7 (2) |
N1A—Ce1A—O5A—N2A | −9.7 (3) | O2B—Ce1B—O5B—N2B | −156.5 (2) |
O11A—Ce1A—O7A—N3A | −80.1 (2) | O1B—Ce1B—O5B—N2B | 151.5 (2) |
O12A—Ce1A—O7A—N3A | 144.4 (2) | O4B—Ce1B—O5B—N2B | −5.8 (2) |
O10A—Ce1A—O7A—N3A | −170.7 (2) | O7B—Ce1B—O5B—N2B | −48.3 (2) |
O2A—Ce1A—O7A—N3A | −14.3 (2) | N4B—Ce1B—O5B—N2B | 128.3 (2) |
O8A—Ce1A—O7A—N3A | 6.17 (19) | N1B—Ce1B—O5B—N2B | 178.6 (2) |
O1A—Ce1A—O7A—N3A | 6.3 (4) | O12B—Ce1B—O7B—N3B | −146.1 (2) |
O5A—Ce1A—O7A—N3A | 93.3 (2) | O11B—Ce1B—O7B—N3B | 77.0 (2) |
O4A—Ce1A—O7A—N3A | 61.8 (2) | O10B—Ce1B—O7B—N3B | 167.4 (2) |
N4A—Ce1A—O7A—N3A | −118.9 (2) | O8B—Ce1B—O7B—N3B | −8.85 (19) |
N1A—Ce1A—O7A—N3A | −5.3 (3) | O2B—Ce1B—O7B—N3B | 9.9 (2) |
O11A—Ce1A—O8A—N3A | 68.2 (2) | O1B—Ce1B—O7B—N3B | −11.1 (4) |
O12A—Ce1A—O8A—N3A | −99.3 (2) | O4B—Ce1B—O7B—N3B | −101.2 (2) |
O10A—Ce1A—O8A—N3A | −3.0 (2) | O5B—Ce1B—O7B—N3B | −67.5 (2) |
O2A—Ce1A—O8A—N3A | 152.6 (2) | N4B—Ce1B—O7B—N3B | 115.4 (2) |
O1A—Ce1A—O8A—N3A | 173.8 (2) | N1B—Ce1B—O7B—N3B | 1.0 (3) |
O5A—Ce1A—O8A—N3A | −78.8 (2) | O12B—Ce1B—O8B—N3B | 104.1 (2) |
O4A—Ce1A—O8A—N3A | −129.8 (2) | O11B—Ce1B—O8B—N3B | −66.0 (2) |
O7A—Ce1A—O8A—N3A | −6.2 (2) | O10B—Ce1B—O8B—N3B | 4.8 (2) |
N4A—Ce1A—O8A—N3A | 92.6 (2) | O2B—Ce1B—O8B—N3B | −151.7 (2) |
N1A—Ce1A—O8A—N3A | 165.6 (2) | O1B—Ce1B—O8B—N3B | −172.1 (2) |
O11A—Ce1A—O10A—C1'A | −94 (2) | O4B—Ce1B—O8B—N3B | 78.7 (2) |
O12A—Ce1A—O10A—C1'A | 117 (2) | O5B—Ce1B—O8B—N3B | 128.7 (2) |
O2A—Ce1A—O10A—C1'A | −116 (2) | O7B—Ce1B—O8B—N3B | 8.76 (19) |
O8A—Ce1A—O10A—C1'A | −28 (2) | N4B—Ce1B—O8B—N3B | −90.6 (2) |
O1A—Ce1A—O10A—C1'A | 156 (2) | N1B—Ce1B—O8B—N3B | −164.1 (2) |
O5A—Ce1A—O10A—C1'A | 39 (2) | O12B—Ce1B—O10B—C1B | −129.1 (4) |
O4A—Ce1A—O10A—C1'A | 64 (2) | O11B—Ce1B—O10B—C1B | 80.8 (4) |
O7A—Ce1A—O10A—C1'A | −25 (2) | O8B—Ce1B—O10B—C1B | 16.0 (4) |
N4A—Ce1A—O10A—C1'A | −163 (2) | O2B—Ce1B—O10B—C1B | 107.4 (4) |
N1A—Ce1A—O10A—C1'A | 179 (2) | O1B—Ce1B—O10B—C1B | −167.9 (4) |
O11A—Ce1A—O10A—C1A | −43.2 (5) | O4B—Ce1B—O10B—C1B | −53.7 (4) |
O12A—Ce1A—O10A—C1A | 167.5 (5) | O5B—Ce1B—O10B—C1B | −76.3 (4) |
O2A—Ce1A—O10A—C1A | −65.9 (6) | O7B—Ce1B—O10B—C1B | 12.9 (4) |
O8A—Ce1A—O10A—C1A | 22.3 (5) | N4B—Ce1B—O10B—C1B | 150.0 (4) |
O1A—Ce1A—O10A—C1A | −153.6 (5) | N1B—Ce1B—O10B—C1B | 170.4 (4) |
O5A—Ce1A—O10A—C1A | 89.6 (5) | N5B—P1B—O11B—Ce1B | −9.4 (3) |
O4A—Ce1A—O10A—C1A | 113.9 (5) | C11B—P1B—O11B—Ce1B | −124.6 (2) |
O7A—Ce1A—O10A—C1A | 24.9 (5) | C17B—P1B—O11B—Ce1B | 110.1 (2) |
N4A—Ce1A—O10A—C1A | −112.7 (5) | O12B—Ce1B—O11B—P1B | 3.4 (3) |
N1A—Ce1A—O10A—C1A | −130.4 (5) | O10B—Ce1B—O11B—P1B | 51.7 (2) |
N5A—P1A—O11A—Ce1A | 17.4 (3) | O8B—Ce1B—O11B—P1B | 174.8 (3) |
C17A—P1A—O11A—Ce1A | 131.6 (2) | O2B—Ce1B—O11B—P1B | −118.8 (2) |
C11A—P1A—O11A—Ce1A | −101.3 (3) | O1B—Ce1B—O11B—P1B | −80.7 (2) |
O12A—Ce1A—O11A—P1A | −11.8 (3) | O4B—Ce1B—O11B—P1B | 125.3 (2) |
O10A—Ce1A—O11A—P1A | −60.2 (2) | O5B—Ce1B—O11B—P1B | −160.49 (18) |
O2A—Ce1A—O11A—P1A | 111.3 (3) | O7B—Ce1B—O11B—P1B | 123.1 (2) |
O8A—Ce1A—O11A—P1A | 178.7 (3) | N4B—Ce1B—O11B—P1B | −23.4 (2) |
O1A—Ce1A—O11A—P1A | 73.3 (3) | N1B—Ce1B—O11B—P1B | −101.8 (2) |
O5A—Ce1A—O11A—P1A | −137.8 (2) | N7B—P2B—O12B—Ce1B | −53.5 (11) |
O4A—Ce1A—O11A—P1A | 149.3 (2) | C29B—P2B—O12B—Ce1B | −168.0 (10) |
O7A—Ce1A—O11A—P1A | −129.7 (3) | C23B—P2B—O12B—Ce1B | 68.1 (11) |
N4A—Ce1A—O11A—P1A | 16.4 (2) | O11B—Ce1B—O12B—P2B | 32.4 (11) |
N1A—Ce1A—O11A—P1A | 94.2 (2) | O10B—Ce1B—O12B—P2B | −18.9 (11) |
N7A—P2A—O12A—Ce1A | 85.3 (11) | O8B—Ce1B—O12B—P2B | −132.5 (10) |
C23A—P2A—O12A—Ce1A | −159.5 (11) | O2B—Ce1B—O12B—P2B | 141.0 (10) |
C29A—P2A—O12A—Ce1A | −38.3 (11) | O1B—Ce1B—O12B—P2B | 131.6 (11) |
O11A—Ce1A—O12A—P2A | −68.3 (11) | O4B—Ce1B—O12B—P2B | −106.8 (11) |
O10A—Ce1A—O12A—P2A | −16.8 (11) | O5B—Ce1B—O12B—P2B | −157.3 (11) |
O2A—Ce1A—O12A—P2A | −176.4 (11) | O7B—Ce1B—O12B—P2B | −64.9 (11) |
O8A—Ce1A—O12A—P2A | 93.2 (11) | N4B—Ce1B—O12B—P2B | 57.9 (11) |
O1A—Ce1A—O12A—P2A | −168.1 (11) | N1B—Ce1B—O12B—P2B | 138.3 (11) |
O5A—Ce1A—O12A—P2A | 73.3 (11) | Ce1B—O2B—N1B—O3B | 169.9 (3) |
O4A—Ce1A—O12A—P2A | 123.4 (11) | Ce1B—O2B—N1B—O1B | −9.3 (3) |
O7A—Ce1A—O12A—P2A | 26.9 (11) | Ce1B—O1B—N1B—O3B | −170.0 (3) |
N4A—Ce1A—O12A—P2A | −95.2 (11) | Ce1B—O1B—N1B—O2B | 9.1 (3) |
N1A—Ce1A—O12A—P2A | −174.4 (11) | O12B—Ce1B—N1B—O3B | 83.3 (19) |
Ce1A—O1A—N1A—O3A | 169.4 (3) | O11B—Ce1B—N1B—O3B | −134.4 (19) |
Ce1A—O1A—N1A—O2A | −9.5 (4) | O10B—Ce1B—N1B—O3B | 139.2 (19) |
Ce1A—O2A—N1A—O3A | −169.2 (3) | O8B—Ce1B—N1B—O3B | −63.3 (19) |
Ce1A—O2A—N1A—O1A | 9.7 (4) | O2B—Ce1B—N1B—O3B | −91.1 (19) |
O11A—Ce1A—N1A—O3A | 129.9 (19) | O1B—Ce1B—N1B—O3B | 99 (2) |
O12A—Ce1A—N1A—O3A | −88.8 (19) | O4B—Ce1B—N1B—O3B | 9 (2) |
O10A—Ce1A—N1A—O3A | −146.1 (18) | O5B—Ce1B—N1B—O3B | 12.6 (19) |
O2A—Ce1A—N1A—O3A | 87.0 (19) | O7B—Ce1B—N1B—O3B | −71 (2) |
O8A—Ce1A—N1A—O3A | 58.2 (19) | N4B—Ce1B—N1B—O3B | 158.9 (19) |
O1A—Ce1A—N1A—O3A | −103.0 (19) | O12B—Ce1B—N1B—O2B | 174.4 (2) |
O5A—Ce1A—N1A—O3A | −10.2 (19) | O11B—Ce1B—N1B—O2B | −43.3 (2) |
O4A—Ce1A—N1A—O3A | −16.6 (19) | O10B—Ce1B—N1B—O2B | −129.7 (3) |
O7A—Ce1A—N1A—O3A | 66.8 (19) | O8B—Ce1B—N1B—O2B | 27.8 (2) |
N4A—Ce1A—N1A—O3A | −163.4 (19) | O1B—Ce1B—N1B—O2B | −170.3 (3) |
O11A—Ce1A—N1A—O1A | −127.1 (2) | O4B—Ce1B—N1B—O2B | 100.0 (2) |
O12A—Ce1A—N1A—O1A | 14.2 (2) | O5B—Ce1B—N1B—O2B | 103.7 (2) |
O10A—Ce1A—N1A—O1A | −43.1 (4) | O7B—Ce1B—N1B—O2B | 20.5 (3) |
O2A—Ce1A—N1A—O1A | −170.0 (4) | N4B—Ce1B—N1B—O2B | −110.0 (2) |
O8A—Ce1A—N1A—O1A | 161.2 (2) | O12B—Ce1B—N1B—O1B | −15.2 (2) |
O5A—Ce1A—N1A—O1A | 92.8 (2) | O11B—Ce1B—N1B—O1B | 127.0 (2) |
O4A—Ce1A—N1A—O1A | 86.4 (2) | O10B—Ce1B—N1B—O1B | 40.7 (3) |
O7A—Ce1A—N1A—O1A | 169.8 (2) | O8B—Ce1B—N1B—O1B | −161.8 (2) |
N4A—Ce1A—N1A—O1A | −60.4 (2) | O2B—Ce1B—N1B—O1B | 170.3 (3) |
O11A—Ce1A—N1A—O2A | 42.9 (2) | O4B—Ce1B—N1B—O1B | −89.6 (2) |
O12A—Ce1A—N1A—O2A | −175.8 (2) | O5B—Ce1B—N1B—O1B | −86.0 (2) |
O10A—Ce1A—N1A—O2A | 126.9 (3) | O7B—Ce1B—N1B—O1B | −169.19 (19) |
O8A—Ce1A—N1A—O2A | −28.8 (2) | N4B—Ce1B—N1B—O1B | 60.3 (2) |
O1A—Ce1A—N1A—O2A | 170.0 (4) | Ce1B—O4B—N2B—O6B | 168.9 (3) |
O5A—Ce1A—N1A—O2A | −97.2 (2) | Ce1B—O4B—N2B—O5B | −10.3 (3) |
O4A—Ce1A—N1A—O2A | −103.6 (2) | Ce1B—O5B—N2B—O6B | −169.1 (3) |
O7A—Ce1A—N1A—O2A | −20.2 (3) | Ce1B—O5B—N2B—O4B | 10.1 (3) |
N4A—Ce1A—N1A—O2A | 109.7 (2) | Ce1B—O7B—N3B—O9B | −164.0 (3) |
Ce1A—O5A—N2A—O6A | −175.2 (4) | Ce1B—O7B—N3B—O8B | 15.2 (3) |
Ce1A—O5A—N2A—O4A | 3.7 (4) | Ce1B—O8B—N3B—O9B | 163.0 (3) |
Ce1A—O4A—N2A—O6A | 175.3 (4) | Ce1B—O8B—N3B—O7B | −16.2 (3) |
Ce1A—O4A—N2A—O5A | −3.6 (4) | C5B—O13B—N4B—C3B | 1.2 (4) |
Ce1A—O8A—N3A—O9A | −167.9 (3) | C5B—O13B—N4B—Ce1B | −161.7 (2) |
Ce1A—O8A—N3A—O7A | 11.4 (3) | O12B—Ce1B—N4B—C3B | −119.3 (3) |
Ce1A—O7A—N3A—O9A | 168.6 (3) | O11B—Ce1B—N4B—C3B | 43.7 (3) |
Ce1A—O7A—N3A—O8A | −10.7 (3) | O10B—Ce1B—N4B—C3B | −44.9 (3) |
C5A—O13A—N4A—C3A | −0.6 (4) | O8B—Ce1B—N4B—C3B | 68.9 (4) |
C5A—O13A—N4A—Ce1A | 159.6 (2) | O2B—Ce1B—N4B—C3B | 121.0 (3) |
O11A—Ce1A—N4A—C3A | −43.6 (3) | O1B—Ce1B—N4B—C3B | 166.9 (4) |
O12A—Ce1A—N4A—C3A | 118.1 (4) | O4B—Ce1B—N4B—C3B | −91.8 (4) |
O10A—Ce1A—N4A—C3A | 43.9 (3) | O5B—Ce1B—N4B—C3B | −170.3 (3) |
O2A—Ce1A—N4A—C3A | −120.3 (3) | O7B—Ce1B—N4B—C3B | 5.7 (4) |
O8A—Ce1A—N4A—C3A | −68.6 (4) | N1B—Ce1B—N4B—C3B | 144.1 (3) |
O1A—Ce1A—N4A—C3A | −166.6 (4) | O12B—Ce1B—N4B—O13B | 38.8 (2) |
O5A—Ce1A—N4A—C3A | 94.5 (4) | O11B—Ce1B—N4B—O13B | −158.3 (3) |
O4A—Ce1A—N4A—C3A | 173.9 (3) | O10B—Ce1B—N4B—O13B | 113.2 (3) |
O7A—Ce1A—N4A—C3A | −5.3 (4) | O8B—Ce1B—N4B—O13B | −133.0 (2) |
N1A—Ce1A—N4A—C3A | −143.7 (4) | O2B—Ce1B—N4B—O13B | −80.9 (2) |
O11A—Ce1A—N4A—O13A | 162.8 (3) | O1B—Ce1B—N4B—O13B | −35.0 (2) |
O12A—Ce1A—N4A—O13A | −35.6 (2) | O4B—Ce1B—N4B—O13B | 66.3 (3) |
O10A—Ce1A—N4A—O13A | −109.7 (2) | O5B—Ce1B—N4B—O13B | −12.3 (3) |
O2A—Ce1A—N4A—O13A | 86.1 (2) | O7B—Ce1B—N4B—O13B | 163.8 (2) |
O8A—Ce1A—N4A—O13A | 137.8 (2) | N1B—Ce1B—N4B—O13B | −57.8 (2) |
O1A—Ce1A—N4A—O13A | 39.8 (2) | O11B—P1B—N5B—C3B | 56.1 (3) |
O5A—Ce1A—N4A—O13A | −59.1 (3) | C11B—P1B—N5B—C3B | 177.0 (3) |
O4A—Ce1A—N4A—O13A | 20.3 (3) | C17B—P1B—N5B—C3B | −64.5 (3) |
O7A—Ce1A—N4A—O13A | −158.9 (2) | C9B—O14B—N6B—C7B | 0.5 (4) |
N1A—Ce1A—N4A—O13A | 62.7 (2) | O12B—P2B—N7B—C7B | 64.2 (4) |
O11A—P1A—N5A—C3A | −56.3 (3) | C29B—P2B—N7B—C7B | −175.2 (4) |
C17A—P1A—N5A—C3A | −176.6 (3) | C23B—P2B—N7B—C7B | −59.6 (4) |
C11A—P1A—N5A—C3A | 64.1 (3) | Ce1B—O10B—C1B—C2B | −132.4 (4) |
C9A—O14A—N6A—C7A | −0.3 (4) | O13B—N4B—C3B—N5B | 178.0 (3) |
O12A—P2A—N7A—C7A | −52.2 (4) | Ce1B—N4B—C3B—N5B | −21.2 (5) |
C23A—P2A—N7A—C7A | −174.3 (3) | O13B—N4B—C3B—C4B | −1.0 (4) |
C29A—P2A—N7A—C7A | 73.0 (4) | Ce1B—N4B—C3B—C4B | 159.8 (3) |
C1'A—O10A—C1A—C2A | −47 (2) | P1B—N5B—C3B—N4B | −39.0 (5) |
Ce1A—O10A—C1A—C2A | −165.5 (4) | P1B—N5B—C3B—C4B | 139.9 (4) |
C1A—O10A—C1'A—C2'A | 41.4 (18) | N4B—C3B—C4B—C5B | 0.5 (5) |
Ce1A—O10A—C1'A—C2'A | 142.8 (14) | N5B—C3B—C4B—C5B | −178.5 (4) |
O13A—N4A—C3A—N5A | −178.2 (3) | C3B—C4B—C5B—O13B | 0.4 (5) |
Ce1A—N4A—C3A—N5A | 25.5 (5) | C3B—C4B—C5B—C6B | 176.8 (5) |
O13A—N4A—C3A—C4A | 0.3 (4) | N4B—O13B—C5B—C4B | −1.0 (4) |
Ce1A—N4A—C3A—C4A | −156.0 (3) | N4B—O13B—C5B—C6B | −178.1 (4) |
P1A—N5A—C3A—N4A | 34.6 (5) | O14B—N6B—C7B—N7B | 179.2 (3) |
P1A—N5A—C3A—C4A | −143.6 (4) | O14B—N6B—C7B—C8B | −0.5 (5) |
N4A—C3A—C4A—C5A | 0.1 (5) | P2B—N7B—C7B—N6B | −15.6 (6) |
N5A—C3A—C4A—C5A | 178.4 (4) | P2B—N7B—C7B—C8B | 164.1 (4) |
N4A—O13A—C5A—C4A | 0.7 (4) | N6B—C7B—C8B—C9B | 0.3 (5) |
N4A—O13A—C5A—C6A | 179.3 (4) | N7B—C7B—C8B—C9B | −179.4 (4) |
C3A—C4A—C5A—O13A | −0.5 (4) | N6B—O14B—C9B—C8B | −0.3 (5) |
C3A—C4A—C5A—C6A | −178.7 (5) | N6B—O14B—C9B—C10B | −179.7 (5) |
O14A—N6A—C7A—N7A | 177.8 (3) | C7B—C8B—C9B—O14B | 0.0 (5) |
O14A—N6A—C7A—C8A | −0.4 (4) | C7B—C8B—C9B—C10B | 179.2 (6) |
P2A—N7A—C7A—N6A | 4.0 (6) | O11B—P1B—C11B—C16B | 25.3 (4) |
P2A—N7A—C7A—C8A | −178.1 (3) | N5B—P1B—C11B—C16B | −96.0 (3) |
N6A—C7A—C8A—C9A | 0.9 (5) | C17B—P1B—C11B—C16B | 149.0 (3) |
N7A—C7A—C8A—C9A | −177.2 (4) | O11B—P1B—C11B—C12B | −157.6 (3) |
C7A—C8A—C9A—O14A | −1.0 (5) | N5B—P1B—C11B—C12B | 81.1 (4) |
C7A—C8A—C9A—C10A | 176.7 (5) | C17B—P1B—C11B—C12B | −33.8 (4) |
N6A—O14A—C9A—C8A | 0.8 (5) | C16B—C11B—C12B—C13B | −0.1 (6) |
N6A—O14A—C9A—C10A | −177.4 (4) | P1B—C11B—C12B—C13B | −177.2 (3) |
O11A—P1A—C11A—C16A | 159.4 (3) | C11B—C12B—C13B—C14B | 0.3 (6) |
N5A—P1A—C11A—C16A | 37.4 (4) | C12B—C13B—C14B—C15B | 0.1 (6) |
C17A—P1A—C11A—C16A | −74.2 (4) | C13B—C14B—C15B—C16B | −0.8 (6) |
O11A—P1A—C11A—C12A | −18.0 (4) | C14B—C15B—C16B—C11B | 1.0 (6) |
N5A—P1A—C11A—C12A | −140.1 (3) | C12B—C11B—C16B—C15B | −0.6 (6) |
C17A—P1A—C11A—C12A | 108.3 (3) | P1B—C11B—C16B—C15B | 176.7 (3) |
C16A—C11A—C12A—C13A | 1.0 (6) | O11B—P1B—C17B—C18B | 17.4 (4) |
P1A—C11A—C12A—C13A | 178.4 (3) | N5B—P1B—C17B—C18B | 140.2 (3) |
C11A—C12A—C13A—C14A | −0.8 (6) | C11B—P1B—C17B—C18B | −107.8 (3) |
C12A—C13A—C14A—C15A | 0.4 (7) | O11B—P1B—C17B—C22B | −160.6 (3) |
C13A—C14A—C15A—C16A | −0.1 (7) | N5B—P1B—C17B—C22B | −37.8 (4) |
C14A—C15A—C16A—C11A | 0.2 (6) | C11B—P1B—C17B—C22B | 74.2 (4) |
C12A—C11A—C16A—C15A | −0.6 (6) | C22B—C17B—C18B—C19B | −1.0 (6) |
P1A—C11A—C16A—C15A | −178.0 (3) | P1B—C17B—C18B—C19B | −179.0 (3) |
O11A—P1A—C17A—C18A | 163.5 (3) | C17B—C18B—C19B—C20B | 0.9 (6) |
N5A—P1A—C17A—C18A | −76.1 (4) | C18B—C19B—C20B—C21B | −0.3 (6) |
C11A—P1A—C17A—C18A | 38.4 (4) | C19B—C20B—C21B—C22B | −0.2 (6) |
O11A—P1A—C17A—C22A | −21.4 (4) | C20B—C21B—C22B—C17B | 0.0 (6) |
N5A—P1A—C17A—C22A | 99.0 (3) | C18B—C17B—C22B—C21B | 0.6 (6) |
C11A—P1A—C17A—C22A | −146.5 (3) | P1B—C17B—C22B—C21B | 178.5 (3) |
C22A—C17A—C18A—C19A | −1.2 (6) | O12B—P2B—C23B—C24B | 31.2 (4) |
P1A—C17A—C18A—C19A | 173.7 (3) | N7B—P2B—C23B—C24B | 157.6 (4) |
C17A—C18A—C19A—C20A | −0.2 (6) | C29B—P2B—C23B—C24B | −93.3 (4) |
C18A—C19A—C20A—C21A | 1.2 (6) | O12B—P2B—C23B—C28B | −149.8 (3) |
C19A—C20A—C21A—C22A | −0.8 (6) | N7B—P2B—C23B—C28B | −23.4 (4) |
C20A—C21A—C22A—C17A | −0.6 (6) | C29B—P2B—C23B—C28B | 85.7 (4) |
C18A—C17A—C22A—C21A | 1.6 (6) | C28B—C23B—C24B—C25B | −1.8 (7) |
P1A—C17A—C22A—C21A | −173.6 (3) | P2B—C23B—C24B—C25B | 177.2 (4) |
O12A—P2A—C23A—C28A | −11.6 (4) | C23B—C24B—C25B—C26B | 0.7 (8) |
N7A—P2A—C23A—C28A | 112.2 (4) | C24B—C25B—C26B—C27B | 0.5 (8) |
C29A—P2A—C23A—C28A | −134.8 (4) | C25B—C26B—C27B—C28B | −0.6 (8) |
O12A—P2A—C23A—C24A | 171.9 (3) | C26B—C27B—C28B—C23B | −0.5 (7) |
N7A—P2A—C23A—C24A | −64.4 (4) | C24B—C23B—C28B—C27B | 1.7 (6) |
C29A—P2A—C23A—C24A | 48.7 (4) | P2B—C23B—C28B—C27B | −177.3 (3) |
C28A—C23A—C24A—C25A | −0.7 (7) | O12B—P2B—C29B—C30B | −167.9 (3) |
P2A—C23A—C24A—C25A | 175.8 (3) | N7B—P2B—C29B—C30B | 69.1 (4) |
C23A—C24A—C25A—C26A | 0.5 (7) | C23B—P2B—C29B—C30B | −43.8 (4) |
C24A—C25A—C26A—C27A | −0.5 (7) | O12B—P2B—C29B—C34B | 17.8 (4) |
C25A—C26A—C27A—C28A | 0.6 (7) | N7B—P2B—C29B—C34B | −105.3 (3) |
C24A—C23A—C28A—C27A | 0.8 (7) | C23B—P2B—C29B—C34B | 141.8 (3) |
P2A—C23A—C28A—C27A | −175.7 (4) | C34B—C29B—C30B—C31B | 1.4 (6) |
C26A—C27A—C28A—C23A | −0.8 (7) | P2B—C29B—C30B—C31B | −172.9 (3) |
O12A—P2A—C29A—C30A | 141.3 (3) | C29B—C30B—C31B—C32B | 0.0 (7) |
N7A—P2A—C29A—C30A | 13.6 (4) | C30B—C31B—C32B—C33B | −1.7 (7) |
C23A—P2A—C29A—C30A | −94.3 (4) | C31B—C32B—C33B—C34B | 1.9 (7) |
O12A—P2A—C29A—C34A | −43.2 (4) | C32B—C33B—C34B—C29B | −0.5 (7) |
N7A—P2A—C29A—C34A | −170.9 (4) | C30B—C29B—C34B—C33B | −1.1 (6) |
C23A—P2A—C29A—C34A | 81.2 (4) | P2B—C29B—C34B—C33B | 173.2 (3) |
C34A—C29A—C30A—C31A | −0.1 (6) | C3S'—O2S—C3S—C4S | 22 (2) |
P2A—C29A—C30A—C31A | 175.3 (3) | C3S—O2S—C3S'—C4S' | −17.5 (16) |
C29A—C30A—C31A—C32A | −0.8 (7) |
D—H···A | D—H | H···A | D···A | D—H···A |
N5A—H5A···O9Bi | 0.80 (5) | 2.13 (5) | 2.914 (4) | 168 (5) |
N5B—H5B···O9A | 0.87 (5) | 2.01 (5) | 2.877 (4) | 173 (6) |
N7A—H7A···O1S | 0.79 (4) | 2.07 (5) | 2.838 (5) | 165 (5) |
N7B—H7B···O2S | 0.76 (5) | 2.08 (5) | 2.830 (5) | 167 (5) |
O10A—H10V···N6A | 0.73 (6) | 2.06 (6) | 2.786 (4) | 179 (9) |
O10B—H10W···N6B | 0.71 (5) | 2.15 (5) | 2.858 (4) | 170 (5) |
O1S—H1S···O5Bii | 0.82 (6) | 2.14 (6) | 2.919 (4) | 161 (5) |
O1S—H1S···O6Bii | 0.82 (6) | 2.51 (6) | 3.166 (5) | 138 (5) |
O2S—H2S···O4Aiii | 0.82 (6) | 2.43 (6) | 3.209 (5) | 159 (6) |
O2S—H2S···O6Aiii | 0.82 (6) | 2.33 (6) | 2.983 (6) | 137 (5) |
Symmetry codes: (i) x, y−1, z; (ii) x−1, y−1, z; (iii) x+1, y, z. |
C34H36EuN7O14P2·C2H6O | F(000) = 4160 |
Mr = 1026.67 | Dx = 1.590 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 954 reflections |
a = 14.8395 (5) Å | θ = 3–29° |
b = 15.8178 (5) Å | µ = 1.61 mm−1 |
c = 36.7471 (11) Å | T = 100 K |
β = 96.168 (1)° | Prism, colourless |
V = 8575.6 (5) Å3 | 0.17 × 0.12 × 0.10 mm |
Z = 8 |
Bruker APEX II CCD area detector' diffractometer | 22773 independent reflections |
Radiation source: fine-focus sealed tube | 18894 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.036 |
ω scans | θmax = 29.0°, θmin = 1.7° |
Absorption correction: multi-scan SADABS (Sheldrick, 2003) | h = −20→20 |
Tmin = 0.771, Tmax = 0.855 | k = −21→21 |
104605 measured reflections | l = −50→50 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.029 | Hydrogen site location: mixed |
wR(F2) = 0.062 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0191P)2 + 13.8245P] where P = (Fo2 + 2Fc2)/3 |
22773 reflections | (Δ/σ)max = 0.004 |
1176 parameters | Δρmax = 0.93 e Å−3 |
0 restraints | Δρmin = −1.44 e Å−3 |
C34H36EuN7O14P2·C2H6O | V = 8575.6 (5) Å3 |
Mr = 1026.67 | Z = 8 |
Monoclinic, P21/n | Mo Kα radiation |
a = 14.8395 (5) Å | µ = 1.61 mm−1 |
b = 15.8178 (5) Å | T = 100 K |
c = 36.7471 (11) Å | 0.17 × 0.12 × 0.10 mm |
β = 96.168 (1)° |
Bruker APEX II CCD area detector' diffractometer | 22773 independent reflections |
Absorption correction: multi-scan SADABS (Sheldrick, 2003) | 18894 reflections with I > 2σ(I) |
Tmin = 0.771, Tmax = 0.855 | Rint = 0.036 |
104605 measured reflections |
R[F2 > 2σ(F2)] = 0.029 | 0 restraints |
wR(F2) = 0.062 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0191P)2 + 13.8245P] where P = (Fo2 + 2Fc2)/3 |
22773 reflections | Δρmax = 0.93 e Å−3 |
1176 parameters | Δρmin = −1.44 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Eu1A | 0.731265 (7) | 0.521073 (7) | 0.875513 (3) | 0.01089 (3) | |
P1A | 0.52326 (4) | 0.63898 (4) | 0.879285 (16) | 0.01315 (11) | |
P2A | 0.96823 (4) | 0.62481 (4) | 0.878464 (16) | 0.01363 (11) | |
O1A | 0.76565 (12) | 0.52959 (11) | 0.80942 (4) | 0.0204 (3) | |
O2A | 0.64615 (12) | 0.45960 (11) | 0.81978 (5) | 0.0210 (4) | |
O3A | 0.69597 (15) | 0.45132 (12) | 0.76627 (5) | 0.0298 (4) | |
O4A | 0.82543 (12) | 0.39673 (11) | 0.85542 (5) | 0.0229 (4) | |
O5A | 0.83595 (12) | 0.42192 (11) | 0.91352 (5) | 0.0206 (4) | |
O6A | 0.91879 (15) | 0.32354 (13) | 0.89296 (7) | 0.0427 (6) | |
O7A | 0.66773 (11) | 0.46032 (10) | 0.93622 (4) | 0.0177 (3) | |
O8A | 0.64547 (11) | 0.38770 (10) | 0.88616 (4) | 0.0157 (3) | |
O9A | 0.57258 (12) | 0.35503 (11) | 0.93268 (5) | 0.0224 (4) | |
O11A | 0.57892 (11) | 0.56003 (10) | 0.88092 (5) | 0.0160 (3) | |
O12A | 0.87849 (11) | 0.58178 (10) | 0.87358 (4) | 0.0160 (3) | |
O13A | 0.75721 (11) | 0.70998 (10) | 0.82566 (4) | 0.0174 (3) | |
O14A | 0.81385 (12) | 0.83531 (11) | 0.92168 (5) | 0.0215 (4) | |
N1A | 0.70249 (14) | 0.47955 (13) | 0.79743 (5) | 0.0193 (4) | |
N2A | 0.86113 (14) | 0.37940 (13) | 0.88759 (6) | 0.0220 (4) | |
N3A | 0.62811 (13) | 0.40057 (12) | 0.91891 (5) | 0.0145 (4) | |
N4A | 0.69863 (13) | 0.67453 (12) | 0.84935 (5) | 0.0143 (4) | |
N5A | 0.58677 (13) | 0.72548 (12) | 0.88385 (6) | 0.0149 (4) | |
H5A | 0.571 (2) | 0.7636 (19) | 0.8949 (8) | 0.022 (8)* | |
N6A | 0.85515 (13) | 0.76069 (12) | 0.91034 (6) | 0.0180 (4) | |
N7A | 0.96629 (13) | 0.72868 (12) | 0.87176 (5) | 0.0162 (4) | |
C3A | 0.65285 (15) | 0.73918 (14) | 0.86072 (6) | 0.0133 (4) | |
C4A | 0.68014 (16) | 0.81689 (15) | 0.84625 (6) | 0.0174 (5) | |
H4AA | 0.6581 | 0.8719 | 0.8506 | 0.021* | |
C5A | 0.74482 (17) | 0.79473 (15) | 0.82486 (6) | 0.0182 (5) | |
C6A | 0.8007 (2) | 0.84253 (17) | 0.80083 (7) | 0.0290 (6) | |
H6AA | 0.8647 | 0.8282 | 0.8071 | 0.044* | |
H6AB | 0.7920 | 0.9033 | 0.8043 | 0.044* | |
H6AC | 0.7822 | 0.8277 | 0.7752 | 0.044* | |
C7A | 0.91485 (16) | 0.78613 (15) | 0.88888 (6) | 0.0164 (4) | |
C8A | 0.91674 (18) | 0.87557 (15) | 0.88552 (7) | 0.0218 (5) | |
H8AA | 0.9547 | 0.9089 | 0.8720 | 0.026* | |
C9A | 0.8523 (2) | 0.90215 (16) | 0.90593 (7) | 0.0255 (5) | |
C10A | 0.8142 (3) | 0.98638 (19) | 0.91392 (9) | 0.0471 (9) | |
H10A | 0.7749 | 1.0062 | 0.8925 | 0.071* | |
H10B | 0.8639 | 1.0267 | 0.9196 | 0.071* | |
H10C | 0.7789 | 0.9817 | 0.9349 | 0.071* | |
C11A | 0.45720 (15) | 0.64622 (15) | 0.83550 (6) | 0.0160 (4) | |
C12A | 0.44376 (16) | 0.57329 (15) | 0.81390 (7) | 0.0191 (5) | |
H12A | 0.4677 | 0.5206 | 0.8228 | 0.023* | |
C13A | 0.39503 (17) | 0.57856 (17) | 0.77938 (7) | 0.0230 (5) | |
H13A | 0.3854 | 0.5292 | 0.7648 | 0.028* | |
C14A | 0.36048 (17) | 0.65564 (18) | 0.76626 (7) | 0.0247 (5) | |
H14A | 0.3272 | 0.6588 | 0.7427 | 0.030* | |
C15A | 0.37440 (17) | 0.72814 (17) | 0.78746 (7) | 0.0229 (5) | |
H15A | 0.3509 | 0.7808 | 0.7783 | 0.028* | |
C16A | 0.42257 (16) | 0.72400 (15) | 0.82205 (7) | 0.0184 (5) | |
H16A | 0.4320 | 0.7736 | 0.8365 | 0.022* | |
C17A | 0.45667 (15) | 0.64776 (14) | 0.91680 (6) | 0.0153 (4) | |
C18A | 0.38316 (16) | 0.70277 (15) | 0.91627 (7) | 0.0179 (5) | |
H18A | 0.3628 | 0.7329 | 0.8946 | 0.021* | |
C19A | 0.33970 (16) | 0.71333 (16) | 0.94783 (7) | 0.0202 (5) | |
H19A | 0.2896 | 0.7508 | 0.9477 | 0.024* | |
C20A | 0.36976 (17) | 0.66908 (16) | 0.97949 (7) | 0.0208 (5) | |
H20A | 0.3406 | 0.6769 | 1.0010 | 0.025* | |
C21A | 0.44213 (17) | 0.61359 (16) | 0.97977 (7) | 0.0218 (5) | |
H21A | 0.4620 | 0.5831 | 1.0014 | 0.026* | |
C22A | 0.48558 (16) | 0.60237 (16) | 0.94862 (7) | 0.0196 (5) | |
H22A | 0.5349 | 0.5640 | 0.9488 | 0.023* | |
C23A | 1.04230 (15) | 0.59356 (14) | 0.84562 (6) | 0.0164 (4) | |
C24A | 1.13273 (16) | 0.62031 (16) | 0.85021 (7) | 0.0202 (5) | |
H24A | 1.1553 | 0.6509 | 0.8715 | 0.024* | |
C25A | 1.18910 (17) | 0.60196 (17) | 0.82358 (7) | 0.0227 (5) | |
H25A | 1.2504 | 0.6202 | 0.8265 | 0.027* | |
C26A | 1.15602 (18) | 0.55697 (18) | 0.79259 (7) | 0.0255 (5) | |
H26A | 1.1947 | 0.5448 | 0.7743 | 0.031* | |
C27A | 1.06664 (18) | 0.52974 (18) | 0.78827 (8) | 0.0286 (6) | |
H27A | 1.0446 | 0.4986 | 0.7670 | 0.034* | |
C28A | 1.00911 (17) | 0.54755 (17) | 0.81471 (7) | 0.0231 (5) | |
H28A | 0.9480 | 0.5286 | 0.8118 | 0.028* | |
C29A | 1.02631 (15) | 0.60557 (15) | 0.92308 (6) | 0.0165 (4) | |
C30A | 1.07679 (16) | 0.66720 (16) | 0.94296 (7) | 0.0199 (5) | |
H30A | 1.0779 | 0.7234 | 0.9339 | 0.024* | |
C31A | 1.12583 (17) | 0.64672 (18) | 0.97626 (7) | 0.0240 (5) | |
H31A | 1.1600 | 0.6892 | 0.9898 | 0.029* | |
C32A | 1.1253 (2) | 0.5659 (2) | 0.98970 (8) | 0.0346 (7) | |
H32A | 1.1590 | 0.5525 | 1.0124 | 0.042* | |
C33A | 1.0753 (3) | 0.5039 (2) | 0.96995 (10) | 0.0510 (10) | |
H33A | 1.0749 | 0.4478 | 0.9791 | 0.061* | |
C34A | 1.0259 (2) | 0.52355 (18) | 0.93683 (9) | 0.0369 (7) | |
H34A | 0.9916 | 0.4809 | 0.9235 | 0.044* | |
Eu1B | 0.649778 (7) | 0.979599 (7) | 0.118723 (3) | 0.01061 (3) | |
P1B | 0.43904 (4) | 0.86475 (4) | 0.119313 (15) | 0.01189 (10) | |
P2B | 0.87874 (4) | 0.86760 (4) | 0.114352 (16) | 0.01318 (11) | |
O1B | 0.73087 (11) | 0.97595 (11) | 0.18335 (4) | 0.0184 (3) | |
O2B | 0.60662 (12) | 1.04801 (11) | 0.17602 (5) | 0.0207 (4) | |
O3B | 0.69626 (13) | 1.05970 (11) | 0.22696 (5) | 0.0250 (4) | |
O4B | 0.73168 (11) | 1.06776 (10) | 0.07496 (4) | 0.0181 (3) | |
O5B | 0.76262 (12) | 1.10238 (11) | 0.13176 (5) | 0.0204 (4) | |
O6B | 0.84147 (13) | 1.15625 (13) | 0.09074 (6) | 0.0350 (5) | |
O7B | 0.54537 (11) | 1.03847 (10) | 0.06002 (4) | 0.0171 (3) | |
O8B | 0.55928 (11) | 1.11290 (10) | 0.10970 (4) | 0.0156 (3) | |
O9B | 0.44789 (12) | 1.13850 (11) | 0.06734 (5) | 0.0232 (4) | |
O10B | 0.64226 (11) | 0.87801 (10) | 0.06875 (4) | 0.0159 (3) | |
O11B | 0.49474 (10) | 0.94327 (10) | 0.11825 (4) | 0.0148 (3) | |
O12B | 0.79539 (10) | 0.91804 (10) | 0.11809 (4) | 0.0151 (3) | |
O13B | 0.70094 (11) | 0.79116 (10) | 0.17277 (4) | 0.0168 (3) | |
O14B | 0.70413 (12) | 0.65373 (10) | 0.07544 (5) | 0.0204 (4) | |
N1B | 0.67841 (14) | 1.02871 (12) | 0.19654 (5) | 0.0170 (4) | |
N2B | 0.78004 (14) | 1.10984 (13) | 0.09872 (6) | 0.0200 (4) | |
N3B | 0.51640 (13) | 1.09721 (12) | 0.07853 (5) | 0.0158 (4) | |
N4B | 0.63180 (12) | 0.82686 (12) | 0.14813 (5) | 0.0142 (4) | |
N5B | 0.49878 (13) | 0.77773 (12) | 0.11457 (5) | 0.0133 (4) | |
H5B | 0.4772 (19) | 0.7394 (18) | 0.1028 (8) | 0.017 (7)* | |
N6B | 0.74606 (13) | 0.73052 (12) | 0.08773 (5) | 0.0167 (4) | |
N7B | 0.87501 (14) | 0.76751 (12) | 0.12691 (6) | 0.0173 (4) | |
H7B | 0.908 (2) | 0.750 (2) | 0.1426 (8) | 0.026 (8)* | |
C1B | 0.61661 (17) | 0.87192 (16) | 0.02955 (6) | 0.0203 (5) | |
H1BA | 0.6719 | 0.8696 | 0.0167 | 0.024* | |
H1BB | 0.5818 | 0.9229 | 0.0210 | 0.024* | |
C2B | 0.55985 (19) | 0.79418 (17) | 0.02014 (7) | 0.0267 (6) | |
H2BA | 0.5462 | 0.7901 | −0.0065 | 0.040* | |
H2BB | 0.5032 | 0.7982 | 0.0315 | 0.040* | |
H2BC | 0.5934 | 0.7438 | 0.0293 | 0.040* | |
C3B | 0.57679 (15) | 0.76330 (14) | 0.13794 (6) | 0.0130 (4) | |
C4B | 0.60782 (16) | 0.68582 (15) | 0.15420 (6) | 0.0177 (5) | |
H4BA | 0.5809 | 0.6315 | 0.1509 | 0.021* | |
C5B | 0.68446 (17) | 0.70727 (15) | 0.17540 (6) | 0.0185 (5) | |
C6B | 0.74975 (19) | 0.65909 (18) | 0.20105 (8) | 0.0292 (6) | |
H6BA | 0.8116 | 0.6704 | 0.1954 | 0.044* | |
H6BB | 0.7370 | 0.5985 | 0.1984 | 0.044* | |
H6BC | 0.7436 | 0.6766 | 0.2262 | 0.044* | |
C7B | 0.81683 (16) | 0.70755 (14) | 0.11004 (6) | 0.0159 (4) | |
C8B | 0.82454 (18) | 0.61846 (15) | 0.11382 (8) | 0.0243 (5) | |
H8BA | 0.8692 | 0.5871 | 0.1286 | 0.029* | |
C9B | 0.75367 (19) | 0.58879 (16) | 0.09149 (8) | 0.0280 (6) | |
C10B | 0.7194 (3) | 0.50267 (18) | 0.08138 (12) | 0.0537 (11) | |
H10D | 0.6990 | 0.5009 | 0.0551 | 0.081* | |
H10E | 0.6685 | 0.4891 | 0.0953 | 0.081* | |
H10F | 0.7680 | 0.4613 | 0.0871 | 0.081* | |
C11B | 0.35181 (15) | 0.85824 (14) | 0.08173 (6) | 0.0141 (4) | |
C12B | 0.27516 (15) | 0.80745 (15) | 0.08262 (6) | 0.0166 (4) | |
H12B | 0.2661 | 0.7769 | 0.1042 | 0.020* | |
C13B | 0.21219 (16) | 0.80180 (15) | 0.05185 (7) | 0.0197 (5) | |
H13B | 0.1598 | 0.7675 | 0.0524 | 0.024* | |
C14B | 0.22596 (17) | 0.84654 (16) | 0.02030 (7) | 0.0209 (5) | |
H14B | 0.1828 | 0.8425 | −0.0007 | 0.025* | |
C15B | 0.30188 (17) | 0.89677 (16) | 0.01918 (7) | 0.0212 (5) | |
H15B | 0.3109 | 0.9268 | −0.0025 | 0.025* | |
C16B | 0.36497 (16) | 0.90327 (15) | 0.04987 (6) | 0.0180 (5) | |
H16B | 0.4169 | 0.9382 | 0.0493 | 0.022* | |
C17B | 0.39465 (15) | 0.85706 (14) | 0.16274 (6) | 0.0135 (4) | |
C18B | 0.39156 (15) | 0.92941 (15) | 0.18448 (6) | 0.0175 (5) | |
H18B | 0.4115 | 0.9822 | 0.1760 | 0.021* | |
C19B | 0.35910 (16) | 0.92387 (17) | 0.21863 (7) | 0.0211 (5) | |
H19B | 0.3567 | 0.9730 | 0.2334 | 0.025* | |
C20B | 0.33033 (17) | 0.84670 (17) | 0.23110 (7) | 0.0228 (5) | |
H20B | 0.3080 | 0.8431 | 0.2543 | 0.027* | |
C21B | 0.33409 (17) | 0.77453 (17) | 0.20962 (7) | 0.0222 (5) | |
H21B | 0.3145 | 0.7218 | 0.2183 | 0.027* | |
C22B | 0.36626 (16) | 0.77938 (15) | 0.17561 (6) | 0.0181 (5) | |
H22B | 0.3690 | 0.7300 | 0.1611 | 0.022* | |
C23B | 0.90561 (15) | 0.86713 (15) | 0.06782 (6) | 0.0177 (5) | |
C24B | 0.8849 (2) | 0.93786 (18) | 0.04589 (7) | 0.0286 (6) | |
H24B | 0.8545 | 0.9847 | 0.0552 | 0.034* | |
C25B | 0.9091 (2) | 0.9397 (2) | 0.01015 (8) | 0.0399 (8) | |
H25B | 0.8955 | 0.9881 | −0.0048 | 0.048* | |
C26B | 0.9526 (2) | 0.8714 (2) | −0.00347 (8) | 0.0364 (7) | |
H26B | 0.9696 | 0.8731 | −0.0277 | 0.044* | |
C27B | 0.97164 (18) | 0.8008 (2) | 0.01790 (8) | 0.0305 (6) | |
H27B | 1.0006 | 0.7535 | 0.0082 | 0.037* | |
C28B | 0.94879 (16) | 0.79807 (17) | 0.05352 (7) | 0.0226 (5) | |
H28B | 0.9625 | 0.7493 | 0.0682 | 0.027* | |
C29B | 0.97375 (15) | 0.90382 (14) | 0.14429 (6) | 0.0156 (4) | |
C30B | 1.06084 (16) | 0.87498 (16) | 0.14014 (7) | 0.0207 (5) | |
H30B | 1.0714 | 0.8414 | 0.1196 | 0.025* | |
C31B | 1.13231 (17) | 0.89586 (17) | 0.16636 (7) | 0.0255 (6) | |
H31B | 1.1917 | 0.8760 | 0.1638 | 0.031* | |
C32B | 1.11686 (17) | 0.94545 (17) | 0.19613 (7) | 0.0238 (5) | |
H32B | 1.1656 | 0.9585 | 0.2142 | 0.029* | |
C33B | 1.03076 (17) | 0.97626 (16) | 0.19977 (7) | 0.0220 (5) | |
H33B | 1.0211 | 1.0118 | 0.2198 | 0.026* | |
C34B | 0.95867 (16) | 0.95506 (15) | 0.17409 (7) | 0.0183 (5) | |
H34B | 0.8994 | 0.9752 | 0.1768 | 0.022* | |
O10A | 0.75961 (11) | 0.61770 (10) | 0.92720 (4) | 0.0188 (3) | |
C2A | 0.7839 (4) | 0.6857 (3) | 0.98813 (13) | 0.0302 (11) | 0.60 |
H2AA | 0.7608 | 0.6871 | 1.0121 | 0.045* | 0.60 |
H2AB | 0.7854 | 0.7433 | 0.9783 | 0.045* | 0.60 |
H2AC | 0.8453 | 0.6620 | 0.9907 | 0.045* | 0.60 |
C1A | 0.7239 (4) | 0.6325 (3) | 0.96279 (13) | 0.0291 (11) | 0.60 |
H1AA | 0.6639 | 0.6601 | 0.9583 | 0.035* | 0.60 |
H1AB | 0.7152 | 0.5773 | 0.9746 | 0.035* | 0.60 |
C1'A | 0.7755 (6) | 0.6186 (4) | 0.96435 (17) | 0.0218 (13) | 0.40 |
H1'A | 0.8417 | 0.6190 | 0.9716 | 0.026* | 0.40 |
H1'B | 0.7503 | 0.5665 | 0.9743 | 0.026* | 0.40 |
C2'A | 0.7323 (6) | 0.6965 (6) | 0.9807 (2) | 0.0339 (18) | 0.40 |
H2'A | 0.7427 | 0.6941 | 1.0075 | 0.051* | 0.40 |
H2'B | 0.6670 | 0.6970 | 0.9731 | 0.051* | 0.40 |
H2'C | 0.7597 | 0.7481 | 0.9720 | 0.051* | 0.40 |
O1S | 0.07558 (12) | 0.82275 (12) | 0.82735 (5) | 0.0235 (4) | |
C1S | 0.11108 (18) | 0.81660 (19) | 0.79263 (7) | 0.0282 (6) | |
H1SA | 0.1647 | 0.7790 | 0.7947 | 0.034* | |
H1SB | 0.1300 | 0.8732 | 0.7848 | 0.034* | |
O2S | −0.00007 (14) | 0.68435 (13) | 0.17818 (5) | 0.0321 (4) | |
C2S | 0.0388 (2) | 0.7816 (2) | 0.76495 (8) | 0.0376 (7) | |
H2SA | 0.0636 | 0.7740 | 0.7415 | 0.056* | |
H2SB | −0.0124 | 0.8209 | 0.7618 | 0.056* | |
H2SC | 0.0182 | 0.7269 | 0.7735 | 0.056* | |
C3S | 0.0142 (8) | 0.7128 (8) | 0.2133 (4) | 0.032 (2) | 0.45 |
H3SA | −0.0360 | 0.6934 | 0.2269 | 0.039* | 0.45 |
H3SB | 0.0139 | 0.7753 | 0.2133 | 0.039* | 0.45 |
C4S | 0.1010 (6) | 0.6826 (8) | 0.2323 (3) | 0.051 (3) | 0.45 |
H4SA | 0.1082 | 0.7043 | 0.2575 | 0.077* | 0.45 |
H4SB | 0.1512 | 0.7029 | 0.2194 | 0.077* | 0.45 |
H4SC | 0.1013 | 0.6207 | 0.2328 | 0.077* | 0.45 |
C4'S | 0.0646 (9) | 0.6664 (8) | 0.2426 (3) | 0.040 (3) | 0.35 |
H4'A | 0.0888 | 0.6958 | 0.2651 | 0.060* | 0.35 |
H4'B | 0.1092 | 0.6252 | 0.2359 | 0.060* | 0.35 |
H4'C | 0.0085 | 0.6371 | 0.2468 | 0.060* | 0.35 |
C3'S | 0.0452 (9) | 0.7302 (9) | 0.2119 (4) | 0.027 (3) | 0.35 |
H3'A | 0.1024 | 0.7569 | 0.2062 | 0.033* | 0.35 |
H3'B | 0.0047 | 0.7752 | 0.2195 | 0.033* | 0.35 |
C4RS | 0.0746 (15) | 0.7455 (14) | 0.2357 (5) | 0.051 (5) | 0.20 |
H4RA | 0.0948 | 0.7336 | 0.2614 | 0.077* | 0.20 |
H4RB | 0.0343 | 0.7947 | 0.2340 | 0.077* | 0.20 |
H4RC | 0.1273 | 0.7572 | 0.2225 | 0.077* | 0.20 |
C3RS | 0.0273 (9) | 0.6743 (9) | 0.2197 (3) | 0.044 (5) | 0.20 |
H3RA | −0.0280 | 0.6651 | 0.2321 | 0.053* | 0.20 |
H3RB | 0.0660 | 0.6235 | 0.2239 | 0.053* | 0.20 |
H7A | 0.9970 | 0.7477 | 0.8555 | 0.053* | |
H1OB | 0.6765 | 0.8393 | 0.0731 | 0.053* | |
H1S | 0.1163 | 0.8378 | 0.8453 | 0.053* | |
H2S | 0.0429 | 0.6757 | 0.1662 | 0.053* | |
H1OA | 0.7929 | 0.6602 | 0.9224 | 0.053* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Eu1A | 0.01217 (5) | 0.00948 (5) | 0.01108 (5) | 0.00055 (4) | 0.00155 (4) | −0.00111 (4) |
P1A | 0.0115 (3) | 0.0116 (3) | 0.0165 (3) | 0.0006 (2) | 0.0021 (2) | −0.0007 (2) |
P2A | 0.0122 (3) | 0.0114 (3) | 0.0175 (3) | 0.0003 (2) | 0.0027 (2) | −0.0021 (2) |
O1A | 0.0275 (9) | 0.0186 (8) | 0.0157 (8) | −0.0017 (7) | 0.0051 (7) | −0.0007 (7) |
O2A | 0.0221 (9) | 0.0252 (9) | 0.0154 (8) | −0.0038 (7) | 0.0006 (7) | −0.0025 (7) |
O3A | 0.0530 (13) | 0.0253 (10) | 0.0114 (8) | −0.0021 (9) | 0.0043 (8) | −0.0059 (7) |
O4A | 0.0284 (9) | 0.0174 (8) | 0.0233 (9) | 0.0039 (7) | 0.0042 (7) | −0.0020 (7) |
O5A | 0.0204 (9) | 0.0203 (9) | 0.0206 (9) | 0.0015 (7) | 0.0001 (7) | 0.0027 (7) |
O6A | 0.0380 (12) | 0.0294 (11) | 0.0596 (15) | 0.0235 (10) | 0.0003 (11) | 0.0036 (10) |
O7A | 0.0220 (8) | 0.0135 (8) | 0.0174 (8) | −0.0041 (6) | 0.0003 (7) | −0.0044 (6) |
O8A | 0.0218 (8) | 0.0133 (7) | 0.0127 (7) | −0.0024 (6) | 0.0044 (6) | −0.0020 (6) |
O9A | 0.0288 (9) | 0.0219 (9) | 0.0178 (8) | −0.0112 (7) | 0.0086 (7) | −0.0024 (7) |
O11A | 0.0136 (8) | 0.0127 (7) | 0.0222 (8) | 0.0017 (6) | 0.0036 (6) | −0.0007 (6) |
O12A | 0.0131 (8) | 0.0152 (8) | 0.0200 (8) | −0.0003 (6) | 0.0033 (6) | −0.0019 (6) |
O13A | 0.0206 (8) | 0.0155 (8) | 0.0174 (8) | −0.0006 (6) | 0.0079 (7) | 0.0032 (6) |
O14A | 0.0272 (9) | 0.0175 (8) | 0.0206 (9) | 0.0074 (7) | 0.0066 (7) | −0.0029 (7) |
N1A | 0.0288 (11) | 0.0155 (9) | 0.0136 (9) | 0.0041 (9) | 0.0024 (8) | 0.0015 (8) |
N2A | 0.0188 (10) | 0.0160 (10) | 0.0313 (12) | 0.0022 (8) | 0.0025 (9) | 0.0004 (9) |
N3A | 0.0159 (9) | 0.0119 (9) | 0.0155 (9) | −0.0005 (7) | 0.0006 (7) | 0.0003 (7) |
N4A | 0.0141 (9) | 0.0145 (9) | 0.0147 (9) | −0.0004 (7) | 0.0034 (7) | 0.0021 (7) |
N5A | 0.0137 (9) | 0.0115 (9) | 0.0201 (10) | 0.0011 (7) | 0.0040 (8) | −0.0023 (8) |
N6A | 0.0190 (10) | 0.0136 (9) | 0.0218 (10) | 0.0053 (8) | 0.0049 (8) | −0.0034 (8) |
N7A | 0.0190 (9) | 0.0117 (9) | 0.0188 (10) | 0.0010 (7) | 0.0065 (8) | −0.0011 (7) |
C3A | 0.0133 (10) | 0.0134 (10) | 0.0125 (10) | 0.0005 (8) | −0.0015 (8) | 0.0010 (8) |
C4A | 0.0218 (11) | 0.0124 (10) | 0.0178 (11) | 0.0018 (9) | 0.0018 (9) | 0.0012 (9) |
C5A | 0.0258 (12) | 0.0142 (11) | 0.0145 (11) | −0.0009 (9) | 0.0012 (9) | 0.0037 (9) |
C6A | 0.0417 (16) | 0.0239 (13) | 0.0234 (13) | −0.0064 (12) | 0.0122 (12) | 0.0053 (11) |
C7A | 0.0176 (11) | 0.0146 (11) | 0.0168 (11) | 0.0022 (9) | 0.0015 (9) | −0.0005 (9) |
C8A | 0.0337 (14) | 0.0128 (11) | 0.0192 (12) | 0.0025 (10) | 0.0044 (10) | 0.0007 (9) |
C9A | 0.0394 (15) | 0.0160 (12) | 0.0214 (12) | 0.0075 (11) | 0.0045 (11) | 0.0005 (10) |
C10A | 0.083 (3) | 0.0210 (14) | 0.0411 (18) | 0.0228 (16) | 0.0234 (18) | 0.0035 (13) |
C11A | 0.0123 (10) | 0.0187 (11) | 0.0175 (11) | −0.0009 (8) | 0.0034 (8) | 0.0005 (9) |
C12A | 0.0170 (11) | 0.0180 (11) | 0.0229 (12) | 0.0007 (9) | 0.0050 (9) | −0.0031 (9) |
C13A | 0.0214 (12) | 0.0279 (13) | 0.0206 (12) | −0.0028 (10) | 0.0053 (10) | −0.0083 (10) |
C14A | 0.0208 (12) | 0.0372 (15) | 0.0161 (11) | 0.0003 (11) | 0.0023 (9) | 0.0013 (11) |
C15A | 0.0216 (12) | 0.0266 (13) | 0.0205 (12) | 0.0027 (10) | 0.0018 (10) | 0.0039 (10) |
C16A | 0.0181 (11) | 0.0181 (11) | 0.0191 (11) | 0.0006 (9) | 0.0026 (9) | −0.0003 (9) |
C17A | 0.0156 (10) | 0.0144 (10) | 0.0161 (11) | −0.0031 (8) | 0.0035 (8) | −0.0021 (8) |
C18A | 0.0171 (11) | 0.0161 (11) | 0.0208 (12) | 0.0004 (9) | 0.0038 (9) | 0.0029 (9) |
C19A | 0.0170 (11) | 0.0198 (12) | 0.0247 (12) | 0.0032 (9) | 0.0063 (9) | 0.0005 (10) |
C20A | 0.0203 (12) | 0.0237 (12) | 0.0191 (12) | −0.0009 (10) | 0.0057 (9) | −0.0045 (10) |
C21A | 0.0251 (13) | 0.0253 (13) | 0.0148 (11) | 0.0038 (10) | 0.0012 (9) | −0.0016 (10) |
C22A | 0.0178 (11) | 0.0220 (12) | 0.0187 (11) | 0.0051 (9) | 0.0010 (9) | −0.0017 (9) |
C23A | 0.0154 (11) | 0.0142 (10) | 0.0199 (11) | 0.0027 (8) | 0.0037 (9) | −0.0014 (9) |
C24A | 0.0157 (11) | 0.0231 (12) | 0.0219 (12) | −0.0006 (9) | 0.0030 (9) | −0.0038 (10) |
C25A | 0.0158 (11) | 0.0274 (13) | 0.0259 (13) | −0.0002 (10) | 0.0062 (10) | −0.0022 (10) |
C26A | 0.0238 (13) | 0.0293 (14) | 0.0248 (13) | 0.0037 (11) | 0.0089 (10) | −0.0062 (11) |
C27A | 0.0252 (13) | 0.0348 (15) | 0.0261 (13) | −0.0012 (11) | 0.0050 (11) | −0.0140 (12) |
C28A | 0.0168 (11) | 0.0258 (13) | 0.0269 (13) | −0.0002 (10) | 0.0031 (10) | −0.0087 (10) |
C29A | 0.0130 (10) | 0.0172 (11) | 0.0194 (11) | 0.0003 (8) | 0.0026 (8) | −0.0001 (9) |
C30A | 0.0181 (11) | 0.0198 (12) | 0.0221 (12) | −0.0004 (9) | 0.0034 (9) | −0.0037 (10) |
C31A | 0.0182 (12) | 0.0327 (14) | 0.0210 (12) | −0.0024 (10) | 0.0015 (9) | −0.0110 (11) |
C32A | 0.0292 (15) | 0.0436 (18) | 0.0285 (15) | −0.0020 (13) | −0.0088 (12) | 0.0063 (13) |
C33A | 0.059 (2) | 0.0314 (17) | 0.055 (2) | −0.0126 (15) | −0.0306 (18) | 0.0207 (15) |
C34A | 0.0420 (17) | 0.0206 (13) | 0.0427 (17) | −0.0113 (12) | −0.0209 (14) | 0.0074 (13) |
Eu1B | 0.01103 (5) | 0.00919 (5) | 0.01141 (5) | −0.00034 (4) | 0.00030 (4) | −0.00111 (4) |
P1B | 0.0115 (2) | 0.0116 (3) | 0.0125 (3) | −0.0005 (2) | 0.0004 (2) | −0.0008 (2) |
P2B | 0.0121 (3) | 0.0116 (3) | 0.0155 (3) | 0.0008 (2) | −0.0002 (2) | −0.0013 (2) |
O1B | 0.0209 (8) | 0.0174 (8) | 0.0164 (8) | 0.0013 (7) | 0.0001 (6) | −0.0018 (7) |
O2B | 0.0215 (9) | 0.0243 (9) | 0.0159 (8) | 0.0041 (7) | −0.0004 (7) | −0.0025 (7) |
O3B | 0.0408 (11) | 0.0221 (9) | 0.0114 (8) | −0.0044 (8) | −0.0004 (7) | −0.0038 (7) |
O4B | 0.0174 (8) | 0.0183 (8) | 0.0183 (8) | −0.0003 (6) | 0.0004 (6) | 0.0031 (7) |
O5B | 0.0223 (9) | 0.0170 (8) | 0.0217 (9) | −0.0047 (7) | 0.0012 (7) | −0.0016 (7) |
O6B | 0.0271 (10) | 0.0347 (11) | 0.0429 (12) | −0.0176 (9) | 0.0030 (9) | 0.0107 (9) |
O7B | 0.0213 (8) | 0.0132 (8) | 0.0169 (8) | 0.0016 (6) | 0.0029 (6) | −0.0045 (6) |
O8B | 0.0187 (8) | 0.0130 (7) | 0.0141 (8) | 0.0017 (6) | −0.0027 (6) | −0.0022 (6) |
O9B | 0.0240 (9) | 0.0215 (9) | 0.0225 (9) | 0.0116 (7) | −0.0046 (7) | −0.0017 (7) |
O10B | 0.0188 (8) | 0.0138 (8) | 0.0143 (8) | 0.0036 (6) | −0.0023 (6) | −0.0028 (6) |
O11B | 0.0141 (7) | 0.0119 (7) | 0.0182 (8) | −0.0013 (6) | 0.0005 (6) | −0.0002 (6) |
O12B | 0.0126 (7) | 0.0129 (7) | 0.0195 (8) | 0.0015 (6) | 0.0000 (6) | −0.0023 (6) |
O13B | 0.0162 (8) | 0.0159 (8) | 0.0170 (8) | 0.0009 (6) | −0.0042 (6) | 0.0027 (6) |
O14B | 0.0218 (9) | 0.0133 (8) | 0.0251 (9) | −0.0030 (7) | −0.0024 (7) | −0.0024 (7) |
N1B | 0.0242 (10) | 0.0131 (9) | 0.0137 (9) | −0.0040 (8) | 0.0019 (8) | 0.0008 (7) |
N2B | 0.0165 (10) | 0.0169 (10) | 0.0261 (11) | 0.0001 (8) | 0.0005 (8) | 0.0050 (8) |
N3B | 0.0197 (10) | 0.0111 (9) | 0.0167 (9) | 0.0006 (7) | 0.0019 (8) | 0.0005 (7) |
N4B | 0.0134 (9) | 0.0148 (9) | 0.0133 (9) | 0.0015 (7) | −0.0031 (7) | 0.0023 (7) |
N5B | 0.0135 (9) | 0.0110 (9) | 0.0148 (9) | −0.0019 (7) | −0.0011 (7) | −0.0024 (7) |
N6B | 0.0183 (9) | 0.0116 (9) | 0.0198 (10) | −0.0026 (7) | 0.0002 (8) | −0.0039 (7) |
N7B | 0.0176 (10) | 0.0112 (9) | 0.0219 (10) | 0.0011 (8) | −0.0044 (8) | 0.0005 (8) |
C1B | 0.0267 (13) | 0.0210 (12) | 0.0132 (11) | 0.0004 (10) | 0.0016 (9) | −0.0021 (9) |
C2B | 0.0318 (14) | 0.0239 (13) | 0.0225 (13) | −0.0031 (11) | −0.0050 (11) | −0.0035 (10) |
C3B | 0.0133 (10) | 0.0143 (10) | 0.0118 (10) | 0.0016 (8) | 0.0035 (8) | −0.0001 (8) |
C4B | 0.0205 (11) | 0.0127 (10) | 0.0198 (11) | 0.0006 (9) | 0.0011 (9) | 0.0041 (9) |
C5B | 0.0225 (12) | 0.0153 (11) | 0.0172 (11) | 0.0022 (9) | 0.0003 (9) | 0.0036 (9) |
C6B | 0.0320 (15) | 0.0253 (13) | 0.0277 (14) | 0.0051 (11) | −0.0087 (11) | 0.0092 (11) |
C7B | 0.0177 (11) | 0.0121 (10) | 0.0180 (11) | 0.0007 (8) | 0.0028 (9) | 0.0002 (8) |
C8B | 0.0258 (13) | 0.0118 (11) | 0.0333 (14) | 0.0019 (9) | −0.0065 (11) | 0.0010 (10) |
C9B | 0.0294 (14) | 0.0144 (12) | 0.0384 (16) | −0.0010 (10) | −0.0056 (12) | 0.0007 (11) |
C10B | 0.055 (2) | 0.0151 (14) | 0.083 (3) | −0.0061 (13) | −0.028 (2) | −0.0041 (15) |
C11B | 0.0120 (10) | 0.0140 (10) | 0.0159 (10) | 0.0019 (8) | −0.0009 (8) | −0.0018 (8) |
C12B | 0.0154 (10) | 0.0157 (11) | 0.0182 (11) | 0.0006 (8) | −0.0002 (9) | −0.0020 (9) |
C13B | 0.0158 (11) | 0.0187 (11) | 0.0235 (12) | −0.0014 (9) | −0.0025 (9) | −0.0049 (9) |
C14B | 0.0203 (12) | 0.0209 (12) | 0.0197 (12) | 0.0035 (9) | −0.0062 (9) | −0.0064 (10) |
C15B | 0.0251 (12) | 0.0234 (12) | 0.0145 (11) | 0.0029 (10) | −0.0010 (9) | −0.0001 (9) |
C16B | 0.0165 (11) | 0.0205 (11) | 0.0168 (11) | −0.0003 (9) | 0.0010 (9) | −0.0005 (9) |
C17B | 0.0124 (10) | 0.0160 (10) | 0.0115 (10) | 0.0004 (8) | −0.0006 (8) | −0.0007 (8) |
C18B | 0.0147 (11) | 0.0185 (11) | 0.0188 (11) | 0.0006 (9) | −0.0004 (9) | −0.0028 (9) |
C19B | 0.0182 (11) | 0.0262 (13) | 0.0184 (11) | 0.0033 (9) | −0.0011 (9) | −0.0073 (10) |
C20B | 0.0196 (12) | 0.0338 (14) | 0.0152 (11) | 0.0026 (10) | 0.0026 (9) | −0.0012 (10) |
C21B | 0.0261 (13) | 0.0230 (12) | 0.0179 (12) | −0.0004 (10) | 0.0037 (10) | 0.0041 (10) |
C22B | 0.0187 (11) | 0.0180 (11) | 0.0176 (11) | −0.0007 (9) | 0.0023 (9) | −0.0008 (9) |
C23B | 0.0123 (10) | 0.0218 (12) | 0.0186 (11) | 0.0015 (9) | 0.0003 (8) | −0.0018 (9) |
C24B | 0.0345 (15) | 0.0284 (14) | 0.0240 (13) | 0.0095 (12) | 0.0090 (11) | 0.0025 (11) |
C25B | 0.0462 (19) | 0.0484 (19) | 0.0270 (15) | 0.0175 (15) | 0.0129 (13) | 0.0144 (14) |
C26B | 0.0290 (15) | 0.063 (2) | 0.0182 (13) | 0.0102 (14) | 0.0052 (11) | −0.0006 (13) |
C27B | 0.0211 (13) | 0.0434 (17) | 0.0264 (14) | 0.0101 (12) | 0.0004 (11) | −0.0103 (12) |
C28B | 0.0184 (11) | 0.0267 (13) | 0.0220 (12) | 0.0051 (10) | −0.0012 (9) | −0.0053 (10) |
C29B | 0.0149 (10) | 0.0142 (10) | 0.0168 (11) | −0.0006 (8) | −0.0016 (8) | −0.0005 (8) |
C30B | 0.0163 (11) | 0.0209 (12) | 0.0244 (12) | 0.0025 (9) | −0.0006 (9) | −0.0055 (10) |
C31B | 0.0130 (11) | 0.0301 (14) | 0.0318 (14) | 0.0032 (10) | −0.0045 (10) | −0.0066 (11) |
C32B | 0.0194 (12) | 0.0231 (12) | 0.0269 (13) | −0.0013 (10) | −0.0065 (10) | −0.0034 (10) |
C33B | 0.0218 (12) | 0.0205 (12) | 0.0233 (12) | −0.0023 (10) | 0.0003 (9) | −0.0067 (10) |
C34B | 0.0145 (11) | 0.0175 (11) | 0.0227 (12) | −0.0003 (9) | 0.0018 (9) | −0.0042 (9) |
O10A | 0.0228 (9) | 0.0171 (8) | 0.0177 (8) | −0.0065 (7) | 0.0070 (7) | −0.0077 (7) |
C2A | 0.042 (3) | 0.033 (3) | 0.015 (2) | −0.006 (3) | 0.004 (2) | −0.0041 (19) |
C1A | 0.033 (3) | 0.035 (3) | 0.021 (2) | −0.013 (2) | 0.012 (2) | −0.012 (2) |
C1'A | 0.030 (4) | 0.020 (3) | 0.015 (3) | −0.009 (3) | −0.001 (3) | 0.002 (2) |
C2'A | 0.035 (4) | 0.046 (5) | 0.022 (4) | −0.011 (4) | 0.010 (3) | −0.010 (3) |
O1S | 0.0245 (9) | 0.0259 (9) | 0.0203 (9) | −0.0052 (7) | 0.0026 (7) | 0.0005 (7) |
C1S | 0.0244 (13) | 0.0349 (15) | 0.0264 (14) | −0.0024 (11) | 0.0076 (11) | 0.0033 (12) |
O2S | 0.0333 (11) | 0.0353 (11) | 0.0266 (10) | 0.0071 (9) | −0.0022 (8) | 0.0042 (9) |
C2S | 0.0369 (16) | 0.0488 (19) | 0.0274 (15) | −0.0087 (14) | 0.0049 (13) | −0.0074 (14) |
C3S | 0.035 (6) | 0.033 (7) | 0.030 (5) | −0.001 (5) | 0.006 (5) | 0.010 (4) |
C4S | 0.036 (5) | 0.073 (8) | 0.042 (6) | 0.000 (5) | −0.012 (4) | −0.001 (5) |
C4'S | 0.050 (7) | 0.036 (5) | 0.032 (6) | −0.003 (5) | −0.011 (5) | 0.009 (4) |
C3'S | 0.040 (8) | 0.022 (6) | 0.020 (5) | −0.007 (5) | 0.003 (6) | 0.001 (4) |
C4RS | 0.067 (13) | 0.061 (13) | 0.024 (9) | 0.004 (11) | 0.000 (9) | −0.004 (9) |
C3RS | 0.063 (14) | 0.037 (11) | 0.029 (10) | −0.004 (10) | −0.008 (9) | 0.025 (8) |
Eu1A—O11A | 2.3721 (16) | O8B—N3B | 1.274 (2) |
Eu1A—O12A | 2.3945 (16) | O9B—N3B | 1.241 (2) |
Eu1A—O10A | 2.4391 (16) | O10B—C1B | 1.453 (3) |
Eu1A—O2A | 2.4859 (17) | O10B—H1OB | 0.8002 |
Eu1A—O8A | 2.5163 (16) | O13B—C5B | 1.355 (3) |
Eu1A—O5A | 2.5214 (17) | O13B—N4B | 1.411 (2) |
Eu1A—O1A | 2.5386 (16) | O14B—C9B | 1.360 (3) |
Eu1A—O4A | 2.5666 (17) | O14B—N6B | 1.416 (2) |
Eu1A—N4A | 2.6364 (19) | N4B—C3B | 1.323 (3) |
Eu1A—O7A | 2.6910 (17) | N5B—C3B | 1.384 (3) |
Eu1A—N1A | 2.9296 (19) | N5B—H5B | 0.79 (3) |
Eu1A—N2A | 2.958 (2) | N6B—C7B | 1.312 (3) |
P1A—O11A | 1.4949 (16) | N7B—C7B | 1.383 (3) |
P1A—N5A | 1.660 (2) | N7B—H7B | 0.77 (3) |
P1A—C17A | 1.786 (2) | C1B—C2B | 1.509 (3) |
P1A—C11A | 1.796 (2) | C1B—H1BA | 0.9900 |
P2A—O12A | 1.4892 (17) | C1B—H1BB | 0.9900 |
P2A—N7A | 1.661 (2) | C2B—H2BA | 0.9800 |
P2A—C23A | 1.787 (2) | C2B—H2BB | 0.9800 |
P2A—C29A | 1.794 (2) | C2B—H2BC | 0.9800 |
O1A—N1A | 1.269 (3) | C3B—C4B | 1.418 (3) |
O2A—N1A | 1.273 (3) | C4B—C5B | 1.351 (3) |
O3A—N1A | 1.223 (3) | C4B—H4BA | 0.9500 |
O4A—N2A | 1.272 (3) | C5B—C6B | 1.487 (3) |
O5A—N2A | 1.255 (3) | C6B—H6BA | 0.9800 |
O6A—N2A | 1.231 (3) | C6B—H6BB | 0.9800 |
O7A—N3A | 1.250 (2) | C6B—H6BC | 0.9800 |
O8A—N3A | 1.274 (2) | C7B—C8B | 1.419 (3) |
O9A—N3A | 1.242 (2) | C8B—C9B | 1.347 (4) |
O13A—C5A | 1.353 (3) | C8B—H8BA | 0.9500 |
O13A—N4A | 1.411 (2) | C9B—C10B | 1.487 (4) |
O14A—C9A | 1.360 (3) | C10B—H10D | 0.9800 |
O14A—N6A | 1.413 (2) | C10B—H10E | 0.9800 |
N4A—C3A | 1.320 (3) | C10B—H10F | 0.9800 |
N5A—C3A | 1.382 (3) | C11B—C12B | 1.396 (3) |
N5A—H5A | 0.78 (3) | C11B—C16B | 1.402 (3) |
N6A—C7A | 1.311 (3) | C12B—C13B | 1.390 (3) |
N7A—C7A | 1.381 (3) | C12B—H12B | 0.9500 |
N7A—H7A | 0.8453 | C13B—C14B | 1.392 (4) |
C3A—C4A | 1.416 (3) | C13B—H13B | 0.9500 |
C4A—C5A | 1.351 (3) | C14B—C15B | 1.383 (4) |
C4A—H4AA | 0.9500 | C14B—H14B | 0.9500 |
C5A—C6A | 1.482 (3) | C15B—C16B | 1.390 (3) |
C6A—H6AA | 0.9800 | C15B—H15B | 0.9500 |
C6A—H6AB | 0.9800 | C16B—H16B | 0.9500 |
C6A—H6AC | 0.9800 | C17B—C22B | 1.398 (3) |
C7A—C8A | 1.421 (3) | C17B—C18B | 1.399 (3) |
C8A—C9A | 1.345 (4) | C18B—C19B | 1.394 (3) |
C8A—H8AA | 0.9500 | C18B—H18B | 0.9500 |
C9A—C10A | 1.488 (4) | C19B—C20B | 1.387 (4) |
C10A—H10A | 0.9800 | C19B—H19B | 0.9500 |
C10A—H10B | 0.9800 | C20B—C21B | 1.392 (4) |
C10A—H10C | 0.9800 | C20B—H20B | 0.9500 |
C11A—C12A | 1.402 (3) | C21B—C22B | 1.387 (3) |
C11A—C16A | 1.403 (3) | C21B—H21B | 0.9500 |
C12A—C13A | 1.394 (3) | C22B—H22B | 0.9500 |
C12A—H12A | 0.9500 | C23B—C24B | 1.394 (4) |
C13A—C14A | 1.389 (4) | C23B—C28B | 1.397 (3) |
C13A—H13A | 0.9500 | C24B—C25B | 1.398 (4) |
C14A—C15A | 1.389 (4) | C24B—H24B | 0.9500 |
C14A—H14A | 0.9500 | C25B—C26B | 1.381 (4) |
C15A—C16A | 1.391 (3) | C25B—H25B | 0.9500 |
C15A—H15A | 0.9500 | C26B—C27B | 1.377 (4) |
C16A—H16A | 0.9500 | C26B—H26B | 0.9500 |
C17A—C18A | 1.394 (3) | C27B—C28B | 1.388 (4) |
C17A—C22A | 1.400 (3) | C27B—H27B | 0.9500 |
C18A—C19A | 1.396 (3) | C28B—H28B | 0.9500 |
C18A—H18A | 0.9500 | C29B—C30B | 1.394 (3) |
C19A—C20A | 1.390 (3) | C29B—C34B | 1.400 (3) |
C19A—H19A | 0.9500 | C30B—C31B | 1.394 (3) |
C20A—C21A | 1.386 (3) | C30B—H30B | 0.9500 |
C20A—H20A | 0.9500 | C31B—C32B | 1.385 (4) |
C21A—C22A | 1.384 (3) | C31B—H31B | 0.9500 |
C21A—H21A | 0.9500 | C32B—C33B | 1.387 (4) |
C22A—H22A | 0.9500 | C32B—H32B | 0.9500 |
C23A—C28A | 1.394 (3) | C33B—C34B | 1.389 (3) |
C23A—C24A | 1.400 (3) | C33B—H33B | 0.9500 |
C24A—C25A | 1.385 (3) | C34B—H34B | 0.9500 |
C24A—H24A | 0.9500 | O10A—C1'A | 1.360 (6) |
C25A—C26A | 1.387 (4) | O10A—C1A | 1.481 (5) |
C25A—H25A | 0.9500 | O10A—H1OA | 0.8643 |
C26A—C27A | 1.387 (4) | C2A—C1A | 1.480 (7) |
C26A—H26A | 0.9500 | C2A—H2AA | 0.9800 |
C27A—C28A | 1.390 (4) | C2A—H2AB | 0.9800 |
C27A—H27A | 0.9500 | C2A—H2AC | 0.9800 |
C28A—H28A | 0.9500 | C1A—H1AA | 0.9900 |
C29A—C30A | 1.388 (3) | C1A—H1AB | 0.9900 |
C29A—C34A | 1.393 (4) | C1'A—C2'A | 1.542 (11) |
C30A—C31A | 1.393 (4) | C1'A—H1'A | 0.9900 |
C30A—H30A | 0.9500 | C1'A—H1'B | 0.9900 |
C31A—C32A | 1.370 (4) | C2'A—H2'A | 0.9800 |
C31A—H31A | 0.9500 | C2'A—H2'B | 0.9800 |
C32A—C33A | 1.387 (4) | C2'A—H2'C | 0.9800 |
C32A—H32A | 0.9500 | O1S—C1S | 1.435 (3) |
C33A—C34A | 1.387 (4) | O1S—H1S | 0.8783 |
C33A—H33A | 0.9500 | C1S—C2S | 1.502 (4) |
C34A—H34A | 0.9500 | C1S—H1SA | 0.9900 |
Eu1B—O11B | 2.3697 (15) | C1S—H1SB | 0.9900 |
Eu1B—O12B | 2.3724 (15) | O2S—C3S | 1.362 (13) |
Eu1B—O10B | 2.4338 (16) | O2S—C3'S | 1.529 (14) |
Eu1B—O8B | 2.5027 (16) | O2S—C3RS | 1.545 (13) |
Eu1B—O2B | 2.5106 (17) | O2S—H2S | 0.8249 |
Eu1B—O4B | 2.5353 (16) | C2S—H2SA | 0.9800 |
Eu1B—O1B | 2.5449 (16) | C2S—H2SB | 0.9800 |
Eu1B—O5B | 2.5755 (17) | C2S—H2SC | 0.9800 |
Eu1B—N4B | 2.6716 (19) | C3S—C4S | 1.477 (16) |
Eu1B—O7B | 2.6839 (16) | C3S—H3SA | 0.9900 |
Eu1B—N1B | 2.9494 (19) | C3S—H3SB | 0.9900 |
Eu1B—N2B | 2.971 (2) | C4S—H4SA | 0.9800 |
P1B—O11B | 1.4947 (16) | C4S—H4SB | 0.9800 |
P1B—N5B | 1.657 (2) | C4S—H4SC | 0.9800 |
P1B—C11B | 1.791 (2) | C4'S—C3'S | 1.519 (18) |
P1B—C17B | 1.795 (2) | C4'S—H4'A | 0.9800 |
P2B—O12B | 1.4906 (16) | C4'S—H4'B | 0.9800 |
P2B—N7B | 1.652 (2) | C4'S—H4'C | 0.9800 |
P2B—C29B | 1.787 (2) | C3'S—H3'A | 0.9900 |
P2B—C23B | 1.797 (2) | C3'S—H3'B | 0.9900 |
O1B—N1B | 1.272 (3) | C4RS—C3RS | 1.42 (2) |
O2B—N1B | 1.274 (3) | C4RS—H4RA | 0.9800 |
O3B—N1B | 1.223 (2) | C4RS—H4RB | 0.9800 |
O4B—N2B | 1.259 (3) | C4RS—H4RC | 0.9800 |
O5B—N2B | 1.274 (3) | C3RS—H3RA | 0.9900 |
O6B—N2B | 1.230 (3) | C3RS—H3RB | 0.9900 |
O7B—N3B | 1.254 (2) | ||
O11A—Eu1A—O12A | 141.18 (5) | O4B—Eu1B—O7B | 64.79 (5) |
O11A—Eu1A—O10A | 81.84 (6) | O1B—Eu1B—O7B | 158.77 (5) |
O12A—Eu1A—O10A | 71.96 (5) | O5B—Eu1B—O7B | 101.28 (5) |
O11A—Eu1A—O2A | 76.48 (6) | N4B—Eu1B—O7B | 124.38 (5) |
O12A—Eu1A—O2A | 121.12 (6) | O11B—Eu1B—N1B | 96.30 (5) |
O10A—Eu1A—O2A | 156.43 (6) | O12B—Eu1B—N1B | 94.65 (6) |
O11A—Eu1A—O8A | 72.67 (5) | O10B—Eu1B—N1B | 153.59 (5) |
O12A—Eu1A—O8A | 145.02 (5) | O8B—Eu1B—N1B | 85.75 (5) |
O10A—Eu1A—O8A | 116.88 (5) | O2B—Eu1B—N1B | 25.40 (5) |
O2A—Eu1A—O8A | 65.13 (5) | O4B—Eu1B—N1B | 116.17 (5) |
O11A—Eu1A—O5A | 130.63 (6) | O1B—Eu1B—N1B | 25.43 (5) |
O12A—Eu1A—O5A | 75.88 (6) | O5B—Eu1B—N1B | 66.29 (5) |
O10A—Eu1A—O5A | 85.07 (6) | N4B—Eu1B—N1B | 81.74 (5) |
O2A—Eu1A—O5A | 116.19 (6) | O7B—Eu1B—N1B | 134.30 (5) |
O8A—Eu1A—O5A | 71.60 (5) | O11B—Eu1B—N2B | 145.42 (5) |
O11A—Eu1A—O1A | 110.96 (6) | O12B—Eu1B—N2B | 70.41 (5) |
O12A—Eu1A—O1A | 70.88 (6) | O10B—Eu1B—N2B | 104.44 (6) |
O10A—Eu1A—O1A | 132.55 (6) | O8B—Eu1B—N2B | 74.76 (5) |
O2A—Eu1A—O1A | 50.88 (6) | O2B—Eu1B—N2B | 98.05 (6) |
O8A—Eu1A—O1A | 110.51 (5) | O4B—Eu1B—N2B | 24.86 (5) |
O5A—Eu1A—O1A | 112.81 (6) | O1B—Eu1B—N2B | 89.52 (6) |
O11A—Eu1A—O4A | 140.93 (6) | O5B—Eu1B—N2B | 25.29 (5) |
O12A—Eu1A—O4A | 76.82 (6) | N4B—Eu1B—N2B | 145.39 (6) |
O10A—Eu1A—O4A | 130.58 (6) | O7B—Eu1B—N2B | 83.99 (5) |
O2A—Eu1A—O4A | 72.99 (6) | N1B—Eu1B—N2B | 91.58 (6) |
O8A—Eu1A—O4A | 72.69 (6) | O11B—P1B—N5B | 112.58 (10) |
O5A—Eu1A—O4A | 50.25 (6) | O11B—P1B—C11B | 112.54 (10) |
O1A—Eu1A—O4A | 66.04 (6) | N5B—P1B—C11B | 102.81 (10) |
O11A—Eu1A—N4A | 69.64 (6) | O11B—P1B—C17B | 109.66 (10) |
O12A—Eu1A—N4A | 75.67 (6) | N5B—P1B—C17B | 106.79 (10) |
O10A—Eu1A—N4A | 73.54 (6) | C11B—P1B—C17B | 112.20 (10) |
O2A—Eu1A—N4A | 90.14 (6) | O12B—P2B—N7B | 115.74 (10) |
O8A—Eu1A—N4A | 138.80 (6) | O12B—P2B—C29B | 112.29 (10) |
O5A—Eu1A—N4A | 148.52 (6) | N7B—P2B—C29B | 100.56 (11) |
O1A—Eu1A—N4A | 69.52 (6) | O12B—P2B—C23B | 111.16 (10) |
O4A—Eu1A—N4A | 133.23 (6) | N7B—P2B—C23B | 106.22 (11) |
O11A—Eu1A—O7A | 66.50 (5) | C29B—P2B—C23B | 110.25 (11) |
O12A—Eu1A—O7A | 124.74 (5) | N1B—O1B—Eu1B | 95.36 (12) |
O10A—Eu1A—O7A | 67.95 (5) | N1B—O2B—Eu1B | 96.92 (13) |
O2A—Eu1A—O7A | 110.55 (5) | N2B—O4B—Eu1B | 97.32 (13) |
O8A—Eu1A—O7A | 48.97 (5) | N2B—O5B—Eu1B | 94.99 (13) |
O5A—Eu1A—O7A | 64.44 (5) | N3B—O7B—Eu1B | 91.32 (12) |
O1A—Eu1A—O7A | 159.47 (5) | N3B—O8B—Eu1B | 99.44 (12) |
O4A—Eu1A—O7A | 102.41 (5) | C1B—O10B—Eu1B | 141.05 (14) |
N4A—Eu1A—O7A | 124.34 (5) | C1B—O10B—H1OB | 103.9 |
O11A—Eu1A—N1A | 95.76 (6) | Eu1B—O10B—H1OB | 112.2 |
O12A—Eu1A—N1A | 95.64 (6) | P1B—O11B—Eu1B | 137.77 (9) |
O10A—Eu1A—N1A | 153.89 (6) | P2B—O12B—Eu1B | 170.49 (10) |
O2A—Eu1A—N1A | 25.54 (6) | C5B—O13B—N4B | 108.27 (17) |
O8A—Eu1A—N1A | 86.64 (5) | C9B—O14B—N6B | 108.12 (18) |
O5A—Eu1A—N1A | 114.79 (6) | O3B—N1B—O1B | 122.0 (2) |
O1A—Eu1A—N1A | 25.58 (6) | O3B—N1B—O2B | 122.0 (2) |
O4A—Eu1A—N1A | 64.73 (6) | O1B—N1B—O2B | 116.01 (18) |
N4A—Eu1A—N1A | 81.23 (6) | O3B—N1B—Eu1B | 170.39 (15) |
O7A—Eu1A—N1A | 134.80 (5) | O1B—N1B—Eu1B | 59.21 (10) |
O11A—Eu1A—N2A | 142.72 (6) | O2B—N1B—Eu1B | 57.67 (11) |
O12A—Eu1A—N2A | 74.12 (6) | O6B—N2B—O4B | 122.1 (2) |
O10A—Eu1A—N2A | 107.62 (6) | O6B—N2B—O5B | 120.9 (2) |
O2A—Eu1A—N2A | 95.31 (6) | O4B—N2B—O5B | 116.93 (19) |
O8A—Eu1A—N2A | 70.97 (6) | O6B—N2B—Eu1B | 172.43 (17) |
O5A—Eu1A—N2A | 24.89 (6) | O4B—N2B—Eu1B | 57.82 (11) |
O1A—Eu1A—N2A | 89.38 (6) | O5B—N2B—Eu1B | 59.72 (11) |
O4A—Eu1A—N2A | 25.38 (6) | O9B—N3B—O7B | 121.79 (19) |
N4A—Eu1A—N2A | 147.51 (6) | O9B—N3B—O8B | 120.51 (19) |
O7A—Eu1A—N2A | 83.43 (6) | O7B—N3B—O8B | 117.70 (18) |
N1A—Eu1A—N2A | 90.07 (6) | O9B—N3B—Eu1B | 165.24 (16) |
O11A—P1A—N5A | 112.30 (10) | O7B—N3B—Eu1B | 63.87 (11) |
O11A—P1A—C17A | 112.52 (10) | O8B—N3B—Eu1B | 55.70 (10) |
N5A—P1A—C17A | 102.32 (10) | C3B—N4B—O13B | 105.14 (17) |
O11A—P1A—C11A | 109.60 (10) | C3B—N4B—Eu1B | 131.15 (14) |
N5A—P1A—C11A | 106.70 (11) | O13B—N4B—Eu1B | 121.61 (12) |
C17A—P1A—C11A | 113.12 (11) | C3B—N5B—P1B | 119.55 (16) |
O12A—P2A—N7A | 115.67 (10) | C3B—N5B—H5B | 118 (2) |
O12A—P2A—C23A | 113.52 (10) | P1B—N5B—H5B | 120 (2) |
N7A—P2A—C23A | 100.11 (10) | C7B—N6B—O14B | 104.85 (18) |
O12A—P2A—C29A | 111.60 (10) | C7B—N7B—P2B | 124.75 (17) |
N7A—P2A—C29A | 107.59 (11) | C7B—N7B—H7B | 114 (2) |
C23A—P2A—C29A | 107.47 (11) | P2B—N7B—H7B | 121 (2) |
N1A—O1A—Eu1A | 94.70 (12) | O10B—C1B—C2B | 111.2 (2) |
N1A—O2A—Eu1A | 97.10 (13) | O10B—C1B—H1BA | 109.4 |
N2A—O4A—Eu1A | 94.76 (13) | C2B—C1B—H1BA | 109.4 |
N2A—O5A—Eu1A | 97.40 (13) | O10B—C1B—H1BB | 109.4 |
N3A—O7A—Eu1A | 92.04 (12) | C2B—C1B—H1BB | 109.4 |
N3A—O8A—Eu1A | 99.78 (12) | H1BA—C1B—H1BB | 108.0 |
P1A—O11A—Eu1A | 137.82 (10) | C1B—C2B—H2BA | 109.5 |
P2A—O12A—Eu1A | 170.64 (10) | C1B—C2B—H2BB | 109.5 |
C5A—O13A—N4A | 108.42 (17) | H2BA—C2B—H2BB | 109.5 |
C9A—O14A—N6A | 107.98 (18) | C1B—C2B—H2BC | 109.5 |
O3A—N1A—O1A | 122.3 (2) | H2BA—C2B—H2BC | 109.5 |
O3A—N1A—O2A | 121.5 (2) | H2BB—C2B—H2BC | 109.5 |
O1A—N1A—O2A | 116.27 (18) | N4B—C3B—N5B | 120.0 (2) |
O3A—N1A—Eu1A | 170.83 (16) | N4B—C3B—C4B | 112.0 (2) |
O1A—N1A—Eu1A | 59.72 (11) | N5B—C3B—C4B | 128.0 (2) |
O2A—N1A—Eu1A | 57.35 (11) | C5B—C4B—C3B | 103.9 (2) |
O6A—N2A—O5A | 121.4 (2) | C5B—C4B—H4BA | 128.0 |
O6A—N2A—O4A | 121.1 (2) | C3B—C4B—H4BA | 128.0 |
O5A—N2A—O4A | 117.48 (19) | C4B—C5B—O13B | 110.6 (2) |
O6A—N2A—Eu1A | 176.62 (18) | C4B—C5B—C6B | 133.4 (2) |
O5A—N2A—Eu1A | 57.71 (11) | O13B—C5B—C6B | 115.9 (2) |
O4A—N2A—Eu1A | 59.85 (11) | C5B—C6B—H6BA | 109.5 |
O9A—N3A—O7A | 121.84 (19) | C5B—C6B—H6BB | 109.5 |
O9A—N3A—O8A | 120.14 (18) | H6BA—C6B—H6BB | 109.5 |
O7A—N3A—O8A | 118.02 (18) | C5B—C6B—H6BC | 109.5 |
O9A—N3A—Eu1A | 168.84 (15) | H6BA—C6B—H6BC | 109.5 |
O7A—N3A—Eu1A | 63.41 (11) | H6BB—C6B—H6BC | 109.5 |
O8A—N3A—Eu1A | 55.54 (10) | N6B—C7B—N7B | 120.6 (2) |
C3A—N4A—O13A | 105.04 (17) | N6B—C7B—C8B | 112.7 (2) |
C3A—N4A—Eu1A | 132.72 (15) | N7B—C7B—C8B | 126.7 (2) |
O13A—N4A—Eu1A | 119.32 (12) | C9B—C8B—C7B | 103.7 (2) |
C3A—N5A—P1A | 120.00 (16) | C9B—C8B—H8BA | 128.1 |
C3A—N5A—H5A | 118 (2) | C7B—C8B—H8BA | 128.1 |
P1A—N5A—H5A | 119 (2) | C8B—C9B—O14B | 110.6 (2) |
C7A—N6A—O14A | 105.29 (18) | C8B—C9B—C10B | 134.0 (3) |
C7A—N7A—P2A | 125.80 (16) | O14B—C9B—C10B | 115.4 (2) |
C7A—N7A—H7A | 117.0 | C9B—C10B—H10D | 109.5 |
P2A—N7A—H7A | 117.1 | C9B—C10B—H10E | 109.5 |
N4A—C3A—N5A | 119.8 (2) | H10D—C10B—H10E | 109.5 |
N4A—C3A—C4A | 112.1 (2) | C9B—C10B—H10F | 109.5 |
N5A—C3A—C4A | 128.1 (2) | H10D—C10B—H10F | 109.5 |
C5A—C4A—C3A | 104.1 (2) | H10E—C10B—H10F | 109.5 |
C5A—C4A—H4AA | 128.0 | C12B—C11B—C16B | 119.9 (2) |
C3A—C4A—H4AA | 128.0 | C12B—C11B—P1B | 122.55 (18) |
C4A—C5A—O13A | 110.4 (2) | C16B—C11B—P1B | 117.43 (17) |
C4A—C5A—C6A | 133.8 (2) | C13B—C12B—C11B | 119.8 (2) |
O13A—C5A—C6A | 115.8 (2) | C13B—C12B—H12B | 120.1 |
C5A—C6A—H6AA | 109.5 | C11B—C12B—H12B | 120.1 |
C5A—C6A—H6AB | 109.5 | C12B—C13B—C14B | 119.9 (2) |
H6AA—C6A—H6AB | 109.5 | C12B—C13B—H13B | 120.0 |
C5A—C6A—H6AC | 109.5 | C14B—C13B—H13B | 120.0 |
H6AA—C6A—H6AC | 109.5 | C15B—C14B—C13B | 120.6 (2) |
H6AB—C6A—H6AC | 109.5 | C15B—C14B—H14B | 119.7 |
N6A—C7A—N7A | 121.0 (2) | C13B—C14B—H14B | 119.7 |
N6A—C7A—C8A | 112.3 (2) | C14B—C15B—C16B | 119.9 (2) |
N7A—C7A—C8A | 126.8 (2) | C14B—C15B—H15B | 120.1 |
C9A—C8A—C7A | 104.0 (2) | C16B—C15B—H15B | 120.1 |
C9A—C8A—H8AA | 128.0 | C15B—C16B—C11B | 119.9 (2) |
C7A—C8A—H8AA | 128.0 | C15B—C16B—H16B | 120.1 |
C8A—C9A—O14A | 110.5 (2) | C11B—C16B—H16B | 120.1 |
C8A—C9A—C10A | 134.2 (3) | C22B—C17B—C18B | 119.8 (2) |
O14A—C9A—C10A | 115.2 (2) | C22B—C17B—P1B | 120.88 (17) |
C9A—C10A—H10A | 109.5 | C18B—C17B—P1B | 119.33 (18) |
C9A—C10A—H10B | 109.5 | C19B—C18B—C17B | 119.9 (2) |
H10A—C10A—H10B | 109.5 | C19B—C18B—H18B | 120.1 |
C9A—C10A—H10C | 109.5 | C17B—C18B—H18B | 120.1 |
H10A—C10A—H10C | 109.5 | C20B—C19B—C18B | 120.1 (2) |
H10B—C10A—H10C | 109.5 | C20B—C19B—H19B | 120.0 |
C12A—C11A—C16A | 119.9 (2) | C18B—C19B—H19B | 120.0 |
C12A—C11A—P1A | 119.04 (18) | C19B—C20B—C21B | 120.1 (2) |
C16A—C11A—P1A | 121.04 (18) | C19B—C20B—H20B | 120.0 |
C13A—C12A—C11A | 119.6 (2) | C21B—C20B—H20B | 120.0 |
C13A—C12A—H12A | 120.2 | C22B—C21B—C20B | 120.3 (2) |
C11A—C12A—H12A | 120.2 | C22B—C21B—H21B | 119.9 |
C14A—C13A—C12A | 120.3 (2) | C20B—C21B—H21B | 119.9 |
C14A—C13A—H13A | 119.9 | C21B—C22B—C17B | 119.9 (2) |
C12A—C13A—H13A | 119.9 | C21B—C22B—H22B | 120.0 |
C13A—C14A—C15A | 120.2 (2) | C17B—C22B—H22B | 120.0 |
C13A—C14A—H14A | 119.9 | C24B—C23B—C28B | 119.5 (2) |
C15A—C14A—H14A | 119.9 | C24B—C23B—P2B | 119.29 (19) |
C14A—C15A—C16A | 120.3 (2) | C28B—C23B—P2B | 121.24 (19) |
C14A—C15A—H15A | 119.9 | C23B—C24B—C25B | 119.8 (3) |
C16A—C15A—H15A | 119.9 | C23B—C24B—H24B | 120.1 |
C15A—C16A—C11A | 119.7 (2) | C25B—C24B—H24B | 120.1 |
C15A—C16A—H16A | 120.1 | C26B—C25B—C24B | 120.1 (3) |
C11A—C16A—H16A | 120.1 | C26B—C25B—H25B | 120.0 |
C18A—C17A—C22A | 120.1 (2) | C24B—C25B—H25B | 120.0 |
C18A—C17A—P1A | 122.33 (18) | C27B—C26B—C25B | 120.2 (3) |
C22A—C17A—P1A | 117.36 (18) | C27B—C26B—H26B | 119.9 |
C17A—C18A—C19A | 119.6 (2) | C25B—C26B—H26B | 119.9 |
C17A—C18A—H18A | 120.2 | C26B—C27B—C28B | 120.5 (3) |
C19A—C18A—H18A | 120.2 | C26B—C27B—H27B | 119.8 |
C20A—C19A—C18A | 120.0 (2) | C28B—C27B—H27B | 119.8 |
C20A—C19A—H19A | 120.0 | C27B—C28B—C23B | 119.9 (3) |
C18A—C19A—H19A | 120.0 | C27B—C28B—H28B | 120.0 |
C21A—C20A—C19A | 120.3 (2) | C23B—C28B—H28B | 120.0 |
C21A—C20A—H20A | 119.9 | C30B—C29B—C34B | 120.2 (2) |
C19A—C20A—H20A | 119.9 | C30B—C29B—P2B | 120.46 (18) |
C22A—C21A—C20A | 120.3 (2) | C34B—C29B—P2B | 119.05 (17) |
C22A—C21A—H21A | 119.9 | C31B—C30B—C29B | 119.5 (2) |
C20A—C21A—H21A | 119.9 | C31B—C30B—H30B | 120.3 |
C21A—C22A—C17A | 119.8 (2) | C29B—C30B—H30B | 120.3 |
C21A—C22A—H22A | 120.1 | C32B—C31B—C30B | 120.1 (2) |
C17A—C22A—H22A | 120.1 | C32B—C31B—H31B | 119.9 |
C28A—C23A—C24A | 120.4 (2) | C30B—C31B—H31B | 119.9 |
C28A—C23A—P2A | 120.37 (18) | C31B—C32B—C33B | 120.5 (2) |
C24A—C23A—P2A | 119.09 (18) | C31B—C32B—H32B | 119.8 |
C25A—C24A—C23A | 119.7 (2) | C33B—C32B—H32B | 119.8 |
C25A—C24A—H24A | 120.1 | C32B—C33B—C34B | 120.0 (2) |
C23A—C24A—H24A | 120.1 | C32B—C33B—H33B | 120.0 |
C24A—C25A—C26A | 120.0 (2) | C34B—C33B—H33B | 120.0 |
C24A—C25A—H25A | 120.0 | C33B—C34B—C29B | 119.7 (2) |
C26A—C25A—H25A | 120.0 | C33B—C34B—H34B | 120.2 |
C25A—C26A—C27A | 120.2 (2) | C29B—C34B—H34B | 120.2 |
C25A—C26A—H26A | 119.9 | C1'A—O10A—C1A | 32.0 (3) |
C27A—C26A—H26A | 119.9 | C1'A—O10A—Eu1A | 141.7 (3) |
C26A—C27A—C28A | 120.6 (2) | C1A—O10A—Eu1A | 137.6 (2) |
C26A—C27A—H27A | 119.7 | C1'A—O10A—H1OA | 99.0 |
C28A—C27A—H27A | 119.7 | C1A—O10A—H1OA | 108.9 |
C27A—C28A—C23A | 119.1 (2) | Eu1A—O10A—H1OA | 112.5 |
C27A—C28A—H28A | 120.5 | C2A—C1A—O10A | 113.4 (4) |
C23A—C28A—H28A | 120.5 | C2A—C1A—H1AA | 108.9 |
C30A—C29A—C34A | 119.1 (2) | O10A—C1A—H1AA | 108.9 |
C30A—C29A—P2A | 122.73 (19) | C2A—C1A—H1AB | 108.9 |
C34A—C29A—P2A | 117.97 (19) | O10A—C1A—H1AB | 108.9 |
C29A—C30A—C31A | 120.0 (2) | H1AA—C1A—H1AB | 107.7 |
C29A—C30A—H30A | 120.0 | O10A—C1'A—C2'A | 111.4 (6) |
C31A—C30A—H30A | 120.0 | O10A—C1'A—H1'A | 109.3 |
C32A—C31A—C30A | 120.7 (2) | C2'A—C1'A—H1'A | 109.3 |
C32A—C31A—H31A | 119.6 | O10A—C1'A—H1'B | 109.3 |
C30A—C31A—H31A | 119.6 | C2'A—C1'A—H1'B | 109.3 |
C31A—C32A—C33A | 119.6 (3) | H1'A—C1'A—H1'B | 108.0 |
C31A—C32A—H32A | 120.2 | C1'A—C2'A—H2'A | 109.5 |
C33A—C32A—H32A | 120.2 | C1'A—C2'A—H2'B | 109.5 |
C32A—C33A—C34A | 120.2 (3) | H2'A—C2'A—H2'B | 109.5 |
C32A—C33A—H33A | 119.9 | C1'A—C2'A—H2'C | 109.5 |
C34A—C33A—H33A | 119.9 | H2'A—C2'A—H2'C | 109.5 |
C33A—C34A—C29A | 120.3 (3) | H2'B—C2'A—H2'C | 109.5 |
C33A—C34A—H34A | 119.9 | C1S—O1S—H1S | 113.4 |
C29A—C34A—H34A | 119.9 | O1S—C1S—C2S | 108.9 (2) |
O11B—Eu1B—O12B | 141.72 (5) | O1S—C1S—H1SA | 109.9 |
O11B—Eu1B—O10B | 82.45 (5) | C2S—C1S—H1SA | 109.9 |
O12B—Eu1B—O10B | 71.91 (5) | O1S—C1S—H1SB | 109.9 |
O11B—Eu1B—O8B | 72.34 (5) | C2S—C1S—H1SB | 109.9 |
O12B—Eu1B—O8B | 145.17 (5) | H1SA—C1S—H1SB | 108.3 |
O10B—Eu1B—O8B | 118.42 (5) | C3S—O2S—C3'S | 20.6 (5) |
O11B—Eu1B—O2B | 77.04 (6) | C3S—O2S—C3RS | 25.8 (7) |
O12B—Eu1B—O2B | 119.99 (5) | C3'S—O2S—C3RS | 37.0 (7) |
O10B—Eu1B—O2B | 157.25 (6) | C3S—O2S—H2S | 120.7 |
O8B—Eu1B—O2B | 64.30 (5) | C3'S—O2S—H2S | 102.4 |
O11B—Eu1B—O4B | 131.30 (5) | C3RS—O2S—H2S | 112.0 |
O12B—Eu1B—O4B | 73.76 (5) | C1S—C2S—H2SA | 109.5 |
O10B—Eu1B—O4B | 82.58 (5) | C1S—C2S—H2SB | 109.5 |
O8B—Eu1B—O4B | 74.90 (5) | H2SA—C2S—H2SB | 109.5 |
O2B—Eu1B—O4B | 118.53 (6) | C1S—C2S—H2SC | 109.5 |
O11B—Eu1B—O1B | 111.27 (5) | H2SA—C2S—H2SC | 109.5 |
O12B—Eu1B—O1B | 70.12 (5) | H2SB—C2S—H2SC | 109.5 |
O10B—Eu1B—O1B | 131.91 (5) | O2S—C3S—C4S | 112.4 (10) |
O8B—Eu1B—O1B | 109.63 (5) | O2S—C3S—H3SA | 109.1 |
O2B—Eu1B—O1B | 50.58 (5) | C4S—C3S—H3SA | 109.1 |
O4B—Eu1B—O1B | 113.17 (5) | O2S—C3S—H3SB | 109.1 |
O11B—Eu1B—O5B | 142.71 (5) | C4S—C3S—H3SB | 109.1 |
O12B—Eu1B—O5B | 74.73 (5) | H3SA—C3S—H3SB | 107.8 |
O10B—Eu1B—O5B | 127.91 (6) | C3'S—C4'S—H4'A | 109.5 |
O8B—Eu1B—O5B | 73.63 (5) | C3'S—C4'S—H4'B | 109.5 |
O2B—Eu1B—O5B | 74.83 (6) | H4'A—C4'S—H4'B | 109.5 |
O4B—Eu1B—O5B | 49.97 (5) | C3'S—C4'S—H4'C | 109.5 |
O1B—Eu1B—O5B | 67.09 (5) | H4'A—C4'S—H4'C | 109.5 |
O11B—Eu1B—N4B | 69.18 (5) | H4'B—C4'S—H4'C | 109.5 |
O12B—Eu1B—N4B | 76.31 (6) | C4'S—C3'S—O2S | 108.6 (9) |
O10B—Eu1B—N4B | 73.12 (6) | C4'S—C3'S—H3'A | 110.0 |
O8B—Eu1B—N4B | 137.73 (6) | O2S—C3'S—H3'A | 110.0 |
O2B—Eu1B—N4B | 90.29 (6) | C4'S—C3'S—H3'B | 110.0 |
O4B—Eu1B—N4B | 146.04 (6) | O2S—C3'S—H3'B | 110.0 |
O1B—Eu1B—N4B | 70.11 (5) | H3'A—C3'S—H3'B | 108.3 |
O5B—Eu1B—N4B | 134.25 (5) | C4RS—C3RS—O2S | 113.0 (12) |
O11B—Eu1B—O7B | 66.55 (5) | C4RS—C3RS—H3RA | 109.0 |
O12B—Eu1B—O7B | 125.61 (5) | O2S—C3RS—H3RA | 109.0 |
O10B—Eu1B—O7B | 69.32 (5) | C4RS—C3RS—H3RB | 109.0 |
O8B—Eu1B—O7B | 49.16 (5) | O2S—C3RS—H3RB | 109.0 |
O2B—Eu1B—O7B | 110.32 (5) | H3RA—C3RS—H3RB | 107.8 |
O11A—Eu1A—O1A—N1A | −56.53 (14) | O10B—Eu1B—O4B—N2B | −151.60 (13) |
O12A—Eu1A—O1A—N1A | 164.86 (14) | O8B—Eu1B—O4B—N2B | 86.25 (13) |
O10A—Eu1A—O1A—N1A | −154.89 (12) | O2B—Eu1B—O4B—N2B | 37.39 (14) |
O2A—Eu1A—O1A—N1A | −5.90 (12) | O1B—Eu1B—O4B—N2B | −19.00 (14) |
O8A—Eu1A—O1A—N1A | 22.09 (14) | O5B—Eu1B—O4B—N2B | 5.14 (12) |
O5A—Eu1A—O1A—N1A | 100.07 (13) | N4B—Eu1B—O4B—N2B | −107.46 (15) |
O4A—Eu1A—O1A—N1A | 81.17 (13) | O7B—Eu1B—O4B—N2B | 137.81 (14) |
N4A—Eu1A—O1A—N1A | −113.78 (14) | N1B—Eu1B—O4B—N2B | 8.85 (14) |
O7A—Eu1A—O1A—N1A | 22.3 (2) | O11B—Eu1B—O5B—N2B | −113.69 (14) |
N2A—Eu1A—O1A—N1A | 91.46 (13) | O12B—Eu1B—O5B—N2B | 76.36 (13) |
O11A—Eu1A—O2A—N1A | 137.96 (14) | O10B—Eu1B—O5B—N2B | 24.71 (15) |
O12A—Eu1A—O2A—N1A | −4.31 (15) | O8B—Eu1B—O5B—N2B | −88.86 (13) |
O10A—Eu1A—O2A—N1A | 114.32 (17) | O2B—Eu1B—O5B—N2B | −155.99 (14) |
O8A—Eu1A—O2A—N1A | −145.12 (14) | O4B—Eu1B—O5B—N2B | −5.06 (12) |
O5A—Eu1A—O2A—N1A | −93.13 (13) | O1B—Eu1B—O5B—N2B | 150.86 (14) |
O1A—Eu1A—O2A—N1A | 5.90 (12) | N4B—Eu1B—O5B—N2B | 128.89 (13) |
O4A—Eu1A—O2A—N1A | −66.72 (13) | O7B—Eu1B—O5B—N2B | −47.77 (13) |
N4A—Eu1A—O2A—N1A | 68.97 (13) | N1B—Eu1B—O5B—N2B | 178.58 (14) |
O7A—Eu1A—O2A—N1A | −163.92 (12) | O11B—Eu1B—O7B—N3B | 77.65 (12) |
N2A—Eu1A—O2A—N1A | −78.95 (13) | O12B—Eu1B—O7B—N3B | −144.47 (12) |
O11A—Eu1A—O4A—N2A | −110.41 (14) | O10B—Eu1B—O7B—N3B | 168.25 (13) |
O12A—Eu1A—O4A—N2A | 80.68 (14) | O8B—Eu1B—O7B—N3B | −8.79 (11) |
O10A—Eu1A—O4A—N2A | 28.94 (16) | O2B—Eu1B—O7B—N3B | 12.56 (13) |
O2A—Eu1A—O4A—N2A | −150.51 (14) | O4B—Eu1B—O7B—N3B | −100.31 (13) |
O8A—Eu1A—O4A—N2A | −81.94 (14) | O1B—Eu1B—O7B—N3B | −10.9 (2) |
O5A—Eu1A—O4A—N2A | −1.79 (12) | O5B—Eu1B—O7B—N3B | −65.27 (13) |
O1A—Eu1A—O4A—N2A | 155.36 (15) | N4B—Eu1B—O7B—N3B | 117.63 (12) |
N4A—Eu1A—O4A—N2A | 135.99 (13) | N1B—Eu1B—O7B—N3B | 2.50 (15) |
O7A—Eu1A—O4A—N2A | −42.54 (14) | N2B—Eu1B—O7B—N3B | −83.82 (12) |
N1A—Eu1A—O4A—N2A | −176.49 (15) | O11B—Eu1B—O8B—N3B | −65.15 (13) |
O11A—Eu1A—O5A—N2A | 129.92 (13) | O12B—Eu1B—O8B—N3B | 104.81 (14) |
O12A—Eu1A—O5A—N2A | −82.64 (14) | O10B—Eu1B—O8B—N3B | 5.63 (14) |
O10A—Eu1A—O5A—N2A | −155.26 (14) | O2B—Eu1B—O8B—N3B | −148.96 (14) |
O2A—Eu1A—O5A—N2A | 35.41 (15) | O4B—Eu1B—O8B—N3B | 78.29 (13) |
O8A—Eu1A—O5A—N2A | 84.29 (14) | O1B—Eu1B—O8B—N3B | −172.05 (12) |
O1A—Eu1A—O5A—N2A | −20.82 (15) | O5B—Eu1B—O8B—N3B | 130.33 (13) |
O4A—Eu1A—O5A—N2A | 1.82 (12) | N4B—Eu1B—O8B—N3B | −90.36 (14) |
N4A—Eu1A—O5A—N2A | −108.54 (15) | O7B—Eu1B—O8B—N3B | 8.77 (11) |
O7A—Eu1A—O5A—N2A | 136.85 (14) | N1B—Eu1B—O8B—N3B | −163.15 (13) |
N1A—Eu1A—O5A—N2A | 7.10 (15) | N2B—Eu1B—O8B—N3B | 104.05 (13) |
O11A—Eu1A—O7A—N3A | 80.76 (12) | O11B—Eu1B—O10B—C1B | 83.4 (2) |
O12A—Eu1A—O7A—N3A | −142.15 (12) | O12B—Eu1B—O10B—C1B | −125.4 (2) |
O10A—Eu1A—O7A—N3A | 171.29 (14) | O8B—Eu1B—O10B—C1B | 18.2 (2) |
O2A—Eu1A—O7A—N3A | 16.56 (13) | O2B—Eu1B—O10B—C1B | 109.1 (2) |
O8A—Eu1A—O7A—N3A | −6.24 (11) | O4B—Eu1B—O10B—C1B | −50.2 (2) |
O5A—Eu1A—O7A—N3A | −93.50 (13) | O1B—Eu1B—O10B—C1B | −164.7 (2) |
O1A—Eu1A—O7A—N3A | −6.5 (2) | O5B—Eu1B—O10B—C1B | −72.7 (2) |
O4A—Eu1A—O7A—N3A | −59.70 (13) | N4B—Eu1B—O10B—C1B | 153.8 (2) |
N4A—Eu1A—O7A—N3A | 121.60 (12) | O7B—Eu1B—O10B—C1B | 15.6 (2) |
N1A—Eu1A—O7A—N3A | 6.87 (15) | N1B—Eu1B—O10B—C1B | 172.3 (2) |
N2A—Eu1A—O7A—N3A | −76.66 (12) | N2B—Eu1B—O10B—C1B | −62.1 (2) |
O11A—Eu1A—O8A—N3A | −67.41 (12) | N5B—P1B—O11B—Eu1B | −9.39 (17) |
O12A—Eu1A—O8A—N3A | 100.45 (14) | C11B—P1B—O11B—Eu1B | −125.03 (14) |
O10A—Eu1A—O8A—N3A | 3.63 (14) | C17B—P1B—O11B—Eu1B | 109.34 (14) |
O2A—Eu1A—O8A—N3A | −150.22 (14) | O12B—Eu1B—O11B—P1B | 4.12 (19) |
O5A—Eu1A—O8A—N3A | 77.96 (13) | O10B—Eu1B—O11B—P1B | 51.78 (14) |
O1A—Eu1A—O8A—N3A | −173.88 (12) | O8B—Eu1B—O11B—P1B | 174.87 (15) |
O4A—Eu1A—O8A—N3A | 130.93 (13) | O2B—Eu1B—O11B—P1B | −118.31 (15) |
N4A—Eu1A—O8A—N3A | −91.91 (14) | O4B—Eu1B—O11B—P1B | 124.93 (13) |
O7A—Eu1A—O8A—N3A | 6.21 (11) | O1B—Eu1B—O11B—P1B | −80.39 (15) |
N1A—Eu1A—O8A—N3A | −164.52 (13) | O5B—Eu1B—O11B—P1B | −160.12 (11) |
N2A—Eu1A—O8A—N3A | 104.25 (13) | N4B—Eu1B—O11B—P1B | −22.97 (13) |
N5A—P1A—O11A—Eu1A | −16.88 (18) | O7B—Eu1B—O11B—P1B | 122.46 (15) |
C17A—P1A—O11A—Eu1A | −131.69 (14) | N1B—Eu1B—O11B—P1B | −101.64 (14) |
C11A—P1A—O11A—Eu1A | 101.52 (15) | N2B—Eu1B—O11B—P1B | 156.31 (12) |
O12A—Eu1A—O11A—P1A | 12.0 (2) | N7B—P2B—O12B—Eu1B | −50.1 (7) |
O10A—Eu1A—O11A—P1A | 59.37 (15) | C29B—P2B—O12B—Eu1B | −164.7 (6) |
O2A—Eu1A—O11A—P1A | −111.31 (15) | C23B—P2B—O12B—Eu1B | 71.2 (7) |
O8A—Eu1A—O11A—P1A | −179.09 (16) | O11B—Eu1B—O12B—P2B | 28.4 (7) |
O5A—Eu1A—O11A—P1A | 135.63 (13) | O10B—Eu1B—O12B—P2B | −22.1 (6) |
O1A—Eu1A—O11A—P1A | −73.22 (15) | O8B—Eu1B—O12B—P2B | −136.1 (6) |
O4A—Eu1A—O11A—P1A | −150.62 (12) | O2B—Eu1B—O12B—P2B | 136.6 (6) |
N4A—Eu1A—O11A—P1A | −16.03 (14) | O4B—Eu1B—O12B—P2B | −109.4 (6) |
O7A—Eu1A—O11A—P1A | 128.81 (16) | O1B—Eu1B—O12B—P2B | 127.8 (7) |
N1A—Eu1A—O11A—P1A | −94.44 (15) | O5B—Eu1B—O12B—P2B | −161.5 (7) |
N2A—Eu1A—O11A—P1A | 167.83 (12) | N4B—Eu1B—O12B—P2B | 54.3 (6) |
N7A—P2A—O12A—Eu1A | −79.1 (7) | O7B—Eu1B—O12B—P2B | −68.4 (7) |
C23A—P2A—O12A—Eu1A | 166.0 (6) | N1B—Eu1B—O12B—P2B | 134.7 (6) |
C29A—P2A—O12A—Eu1A | 44.3 (7) | N2B—Eu1B—O12B—P2B | −135.3 (7) |
O11A—Eu1A—O12A—P2A | 60.9 (7) | Eu1B—O1B—N1B—O3B | −168.83 (18) |
O10A—Eu1A—O12A—P2A | 10.9 (6) | Eu1B—O1B—N1B—O2B | 10.48 (19) |
O2A—Eu1A—O12A—P2A | 169.2 (6) | Eu1B—O2B—N1B—O3B | 168.65 (18) |
O8A—Eu1A—O12A—P2A | −100.5 (6) | Eu1B—O2B—N1B—O1B | −10.65 (19) |
O5A—Eu1A—O12A—P2A | −78.5 (6) | O11B—Eu1B—N1B—O3B | −131.7 (10) |
O1A—Eu1A—O12A—P2A | 160.8 (7) | O12B—Eu1B—N1B—O3B | 85.0 (10) |
O4A—Eu1A—O12A—P2A | −130.3 (6) | O10B—Eu1B—N1B—O3B | 142.6 (10) |
N4A—Eu1A—O12A—P2A | 87.9 (6) | O8B—Eu1B—N1B—O3B | −60.1 (10) |
O7A—Eu1A—O12A—P2A | −34.2 (7) | O2B—Eu1B—N1B—O3B | −91.0 (10) |
N1A—Eu1A—O12A—P2A | 167.3 (6) | O4B—Eu1B—N1B—O3B | 10.8 (10) |
N2A—Eu1A—O12A—P2A | −104.2 (6) | O1B—Eu1B—N1B—O3B | 100.1 (10) |
Eu1A—O1A—N1A—O3A | −169.5 (2) | O5B—Eu1B—N1B—O3B | 13.9 (10) |
Eu1A—O1A—N1A—O2A | 10.0 (2) | N4B—Eu1B—N1B—O3B | 160.4 (10) |
Eu1A—O2A—N1A—O3A | 169.27 (19) | O7B—Eu1B—N1B—O3B | −68.6 (10) |
Eu1A—O2A—N1A—O1A | −10.3 (2) | N2B—Eu1B—N1B—O3B | 14.5 (10) |
O11A—Eu1A—N1A—O3A | −126.4 (11) | O11B—Eu1B—N1B—O1B | 128.16 (12) |
O12A—Eu1A—N1A—O3A | 90.8 (11) | O12B—Eu1B—N1B—O1B | −15.10 (13) |
O10A—Eu1A—N1A—O3A | 150.4 (11) | O10B—Eu1B—N1B—O1B | 42.47 (19) |
O2A—Eu1A—N1A—O3A | −85.5 (11) | O8B—Eu1B—N1B—O1B | −160.16 (13) |
O8A—Eu1A—N1A—O3A | −54.2 (11) | O2B—Eu1B—N1B—O1B | 168.8 (2) |
O5A—Eu1A—N1A—O3A | 13.8 (11) | O4B—Eu1B—N1B—O1B | −89.28 (13) |
O1A—Eu1A—N1A—O3A | 105.1 (11) | O5B—Eu1B—N1B—O1B | −86.18 (13) |
O4A—Eu1A—N1A—O3A | 18.2 (11) | N4B—Eu1B—N1B—O1B | 60.32 (12) |
N4A—Eu1A—N1A—O3A | 165.3 (11) | O7B—Eu1B—N1B—O1B | −168.70 (11) |
O7A—Eu1A—N1A—O3A | −64.1 (11) | N2B—Eu1B—N1B—O1B | −85.57 (12) |
N2A—Eu1A—N1A—O3A | 16.7 (11) | O11B—Eu1B—N1B—O2B | −40.69 (13) |
O11A—Eu1A—N1A—O1A | 128.47 (13) | O12B—Eu1B—N1B—O2B | 176.05 (13) |
O12A—Eu1A—N1A—O1A | −14.36 (13) | O10B—Eu1B—N1B—O2B | −126.38 (15) |
O10A—Eu1A—N1A—O1A | 45.3 (2) | O8B—Eu1B—N1B—O2B | 30.99 (13) |
O2A—Eu1A—N1A—O1A | 169.3 (2) | O4B—Eu1B—N1B—O2B | 101.87 (13) |
O8A—Eu1A—N1A—O1A | −159.34 (13) | O1B—Eu1B—N1B—O2B | −168.8 (2) |
O5A—Eu1A—N1A—O1A | −91.39 (13) | O5B—Eu1B—N1B—O2B | 104.98 (14) |
O4A—Eu1A—N1A—O1A | −86.91 (13) | N4B—Eu1B—N1B—O2B | −108.52 (13) |
N4A—Eu1A—N1A—O1A | 60.16 (13) | O7B—Eu1B—N1B—O2B | 22.45 (16) |
O7A—Eu1A—N1A—O1A | −169.21 (11) | N2B—Eu1B—N1B—O2B | 105.58 (13) |
N2A—Eu1A—N1A—O1A | −88.41 (13) | Eu1B—O4B—N2B—O6B | 171.1 (2) |
O11A—Eu1A—N1A—O2A | −40.87 (13) | Eu1B—O4B—N2B—O5B | −8.9 (2) |
O12A—Eu1A—N1A—O2A | 176.29 (13) | Eu1B—O5B—N2B—O6B | −171.2 (2) |
O10A—Eu1A—N1A—O2A | −124.09 (15) | Eu1B—O5B—N2B—O4B | 8.8 (2) |
O8A—Eu1A—N1A—O2A | 31.31 (13) | O11B—Eu1B—N2B—O6B | −160.7 (13) |
O5A—Eu1A—N1A—O2A | 99.26 (13) | O12B—Eu1B—N2B—O6B | 1.4 (13) |
O1A—Eu1A—N1A—O2A | −169.3 (2) | O10B—Eu1B—N2B—O6B | −63.0 (13) |
O4A—Eu1A—N1A—O2A | 103.75 (14) | O8B—Eu1B—N2B—O6B | −179 (100) |
N4A—Eu1A—N1A—O2A | −109.19 (14) | O2B—Eu1B—N2B—O6B | 120.5 (13) |
O7A—Eu1A—N1A—O2A | 21.45 (16) | O4B—Eu1B—N2B—O6B | −92.1 (14) |
N2A—Eu1A—N1A—O2A | 102.24 (13) | O1B—Eu1B—N2B—O6B | 70.5 (13) |
Eu1A—O5A—N2A—O6A | 176.1 (2) | O5B—Eu1B—N2B—O6B | 97.1 (13) |
Eu1A—O5A—N2A—O4A | −3.2 (2) | N4B—Eu1B—N2B—O6B | 18.1 (14) |
Eu1A—O4A—N2A—O6A | −176.2 (2) | O7B—Eu1B—N2B—O6B | −129.8 (13) |
Eu1A—O4A—N2A—O5A | 3.1 (2) | N1B—Eu1B—N2B—O6B | 95.8 (13) |
O11A—Eu1A—N2A—O6A | −150 (3) | O11B—Eu1B—N2B—O4B | −68.58 (17) |
O12A—Eu1A—N2A—O6A | 14 (3) | O12B—Eu1B—N2B—O4B | 93.56 (13) |
O10A—Eu1A—N2A—O6A | −50 (3) | O10B—Eu1B—N2B—O4B | 29.15 (14) |
O2A—Eu1A—N2A—O6A | 135 (3) | O8B—Eu1B—N2B—O4B | −86.90 (13) |
O8A—Eu1A—N2A—O6A | −163 (3) | O2B—Eu1B—N2B—O4B | −147.40 (13) |
O5A—Eu1A—N2A—O6A | −76 (3) | O1B—Eu1B—N2B—O4B | 162.59 (13) |
O1A—Eu1A—N2A—O6A | 85 (3) | O5B—Eu1B—N2B—O4B | −170.8 (2) |
O4A—Eu1A—N2A—O6A | 107 (3) | N4B—Eu1B—N2B—O4B | 110.25 (14) |
N4A—Eu1A—N2A—O6A | 36 (3) | O7B—Eu1B—N2B—O4B | −37.66 (13) |
O7A—Eu1A—N2A—O6A | −115 (3) | N1B—Eu1B—N2B—O4B | −172.06 (13) |
N1A—Eu1A—N2A—O6A | 110 (3) | O11B—Eu1B—N2B—O5B | 102.18 (15) |
O11A—Eu1A—N2A—O5A | −73.93 (16) | O12B—Eu1B—N2B—O5B | −95.68 (13) |
O12A—Eu1A—N2A—O5A | 90.59 (14) | O10B—Eu1B—N2B—O5B | −160.09 (12) |
O10A—Eu1A—N2A—O5A | 25.95 (14) | O8B—Eu1B—N2B—O5B | 83.86 (13) |
O2A—Eu1A—N2A—O5A | −148.52 (13) | O2B—Eu1B—N2B—O5B | 23.36 (13) |
O8A—Eu1A—N2A—O5A | −87.14 (14) | O4B—Eu1B—N2B—O5B | 170.8 (2) |
O1A—Eu1A—N2A—O5A | 160.87 (14) | O1B—Eu1B—N2B—O5B | −26.65 (13) |
O4A—Eu1A—N2A—O5A | −176.7 (2) | N4B—Eu1B—N2B—O5B | −78.99 (16) |
N4A—Eu1A—N2A—O5A | 112.82 (15) | O7B—Eu1B—N2B—O5B | 133.10 (13) |
O7A—Eu1A—N2A—O5A | −38.39 (13) | N1B—Eu1B—N2B—O5B | −1.30 (13) |
N1A—Eu1A—N2A—O5A | −173.56 (14) | Eu1B—O7B—N3B—O9B | −164.39 (19) |
O11A—Eu1A—N2A—O4A | 102.81 (15) | Eu1B—O7B—N3B—O8B | 14.87 (19) |
O12A—Eu1A—N2A—O4A | −92.67 (14) | Eu1B—O8B—N3B—O9B | 163.07 (18) |
O10A—Eu1A—N2A—O4A | −157.32 (13) | Eu1B—O8B—N3B—O7B | −16.2 (2) |
O2A—Eu1A—N2A—O4A | 28.21 (14) | O11B—Eu1B—N3B—O9B | 25.4 (6) |
O8A—Eu1A—N2A—O4A | 89.60 (14) | O12B—Eu1B—N3B—O9B | 169.1 (6) |
O5A—Eu1A—N2A—O4A | 176.7 (2) | O10B—Eu1B—N3B—O9B | 105.2 (6) |
O1A—Eu1A—N2A—O4A | −22.39 (14) | O8B—Eu1B—N3B—O9B | −79.8 (6) |
N4A—Eu1A—N2A—O4A | −70.45 (18) | O2B—Eu1B—N3B—O9B | −52.0 (6) |
O7A—Eu1A—N2A—O4A | 138.35 (14) | O4B—Eu1B—N3B—O9B | −173.9 (6) |
N1A—Eu1A—N2A—O4A | 3.18 (14) | O1B—Eu1B—N3B—O9B | −69.3 (6) |
Eu1A—O7A—N3A—O9A | −168.70 (19) | O5B—Eu1B—N3B—O9B | −126.8 (6) |
Eu1A—O7A—N3A—O8A | 10.57 (19) | N4B—Eu1B—N3B—O9B | 34.7 (6) |
Eu1A—O8A—N3A—O9A | 167.81 (17) | O7B—Eu1B—N3B—O9B | 116.2 (6) |
Eu1A—O8A—N3A—O7A | −11.5 (2) | N1B—Eu1B—N3B—O9B | −61.9 (6) |
O11A—Eu1A—N3A—O9A | 32.7 (8) | N2B—Eu1B—N3B—O9B | −150.8 (6) |
O12A—Eu1A—N3A—O9A | 175.7 (7) | O11B—Eu1B—N3B—O7B | −90.71 (13) |
O10A—Eu1A—N3A—O9A | 112.6 (8) | O12B—Eu1B—N3B—O7B | 52.98 (16) |
O2A—Eu1A—N3A—O9A | −43.8 (8) | O10B—Eu1B—N3B—O7B | −11.00 (12) |
O8A—Eu1A—N3A—O9A | −70.6 (8) | O8B—Eu1B—N3B—O7B | 164.0 (2) |
O5A—Eu1A—N3A—O9A | −163.6 (8) | O2B—Eu1B—N3B—O7B | −168.20 (13) |
O1A—Eu1A—N3A—O9A | −62.5 (8) | O4B—Eu1B—N3B—O7B | 69.90 (12) |
O4A—Eu1A—N3A—O9A | −116.8 (8) | O1B—Eu1B—N3B—O7B | 174.50 (11) |
N4A—Eu1A—N3A—O9A | 43.5 (8) | O5B—Eu1B—N3B—O7B | 117.03 (12) |
O7A—Eu1A—N3A—O9A | 120.7 (8) | N4B—Eu1B—N3B—O7B | −81.41 (14) |
N1A—Eu1A—N3A—O9A | −54.1 (8) | N1B—Eu1B—N3B—O7B | −178.10 (12) |
N2A—Eu1A—N3A—O9A | −139.8 (8) | N2B—Eu1B—N3B—O7B | 93.08 (12) |
O11A—Eu1A—N3A—O7A | −87.99 (13) | O11B—Eu1B—N3B—O8B | 105.25 (13) |
O12A—Eu1A—N3A—O7A | 54.97 (16) | O12B—Eu1B—N3B—O8B | −111.06 (14) |
O10A—Eu1A—N3A—O7A | −8.08 (13) | O10B—Eu1B—N3B—O8B | −175.04 (13) |
O2A—Eu1A—N3A—O7A | −164.49 (13) | O2B—Eu1B—N3B—O8B | 27.76 (13) |
O8A—Eu1A—N3A—O7A | 168.7 (2) | O4B—Eu1B—N3B—O8B | −94.14 (13) |
O5A—Eu1A—N3A—O7A | 75.71 (12) | O1B—Eu1B—N3B—O8B | 10.47 (16) |
O1A—Eu1A—N3A—O7A | 176.80 (11) | O5B—Eu1B—N3B—O8B | −47.01 (13) |
O4A—Eu1A—N3A—O7A | 122.51 (12) | N4B—Eu1B—N3B—O8B | 114.55 (13) |
N4A—Eu1A—N3A—O7A | −77.25 (14) | O7B—Eu1B—N3B—O8B | −164.0 (2) |
N1A—Eu1A—N3A—O7A | −174.80 (12) | N1B—Eu1B—N3B—O8B | 17.86 (14) |
N2A—Eu1A—N3A—O7A | 99.45 (13) | N2B—Eu1B—N3B—O8B | −70.95 (13) |
O11A—Eu1A—N3A—O8A | 103.33 (13) | C5B—O13B—N4B—C3B | 1.3 (2) |
O12A—Eu1A—N3A—O8A | −113.71 (13) | C5B—O13B—N4B—Eu1B | −163.92 (14) |
O10A—Eu1A—N3A—O8A | −176.76 (13) | O11B—Eu1B—N4B—C3B | 42.21 (19) |
O2A—Eu1A—N3A—O8A | 26.83 (13) | O12B—Eu1B—N4B—C3B | −120.9 (2) |
O5A—Eu1A—N3A—O8A | −92.97 (13) | O10B—Eu1B—N4B—C3B | −45.98 (19) |
O1A—Eu1A—N3A—O8A | 8.12 (16) | O8B—Eu1B—N4B—C3B | 67.9 (2) |
O4A—Eu1A—N3A—O8A | −46.17 (13) | O2B—Eu1B—N4B—C3B | 118.21 (19) |
N4A—Eu1A—N3A—O8A | 114.07 (13) | O4B—Eu1B—N4B—C3B | −92.2 (2) |
O7A—Eu1A—N3A—O8A | −168.7 (2) | O1B—Eu1B—N4B—C3B | 165.6 (2) |
N1A—Eu1A—N3A—O8A | 16.52 (14) | O5B—Eu1B—N4B—C3B | −172.91 (17) |
N2A—Eu1A—N3A—O8A | −69.22 (13) | O7B—Eu1B—N4B—C3B | 3.1 (2) |
C5A—O13A—N4A—C3A | 1.5 (2) | N1B—Eu1B—N4B—C3B | 142.2 (2) |
C5A—O13A—N4A—Eu1A | −161.54 (14) | N2B—Eu1B—N4B—C3B | −137.08 (18) |
O11A—Eu1A—N4A—C3A | 41.09 (19) | O11B—Eu1B—N4B—O13B | −156.89 (16) |
O12A—Eu1A—N4A—C3A | −121.2 (2) | O12B—Eu1B—N4B—O13B | 39.99 (14) |
O10A—Eu1A—N4A—C3A | −46.2 (2) | O10B—Eu1B—N4B—O13B | 114.92 (15) |
O2A—Eu1A—N4A—C3A | 116.6 (2) | O8B—Eu1B—N4B—O13B | −131.16 (13) |
O8A—Eu1A—N4A—C3A | 66.1 (2) | O2B—Eu1B—N4B—O13B | −80.89 (15) |
O5A—Eu1A—N4A—C3A | −95.3 (2) | O4B—Eu1B—N4B—O13B | 68.73 (18) |
O1A—Eu1A—N4A—C3A | 164.2 (2) | O1B—Eu1B—N4B—O13B | −33.51 (14) |
O4A—Eu1A—N4A—C3A | −176.94 (18) | O5B—Eu1B—N4B—O13B | −12.01 (19) |
O7A—Eu1A—N4A—C3A | 1.3 (2) | O7B—Eu1B—N4B—O13B | 164.01 (13) |
N1A—Eu1A—N4A—C3A | 140.6 (2) | N1B—Eu1B—N4B—O13B | −56.89 (15) |
N2A—Eu1A—N4A—C3A | −143.26 (18) | N2B—Eu1B—N4B—O13B | 23.8 (2) |
O11A—Eu1A—N4A—O13A | −161.43 (16) | O11B—P1B—N5B—C3B | 54.7 (2) |
O12A—Eu1A—N4A—O13A | 36.27 (14) | C11B—P1B—N5B—C3B | 176.06 (17) |
O10A—Eu1A—N4A—O13A | 111.33 (15) | C17B—P1B—N5B—C3B | −65.69 (19) |
O2A—Eu1A—N4A—O13A | −85.93 (14) | C9B—O14B—N6B—C7B | −0.1 (3) |
O8A—Eu1A—N4A—O13A | −136.46 (13) | O12B—P2B—N7B—C7B | 64.1 (2) |
O5A—Eu1A—N4A—O13A | 62.19 (19) | C29B—P2B—N7B—C7B | −174.7 (2) |
O1A—Eu1A—N4A—O13A | −38.34 (13) | C23B—P2B—N7B—C7B | −59.8 (2) |
O4A—Eu1A—N4A—O13A | −19.46 (18) | Eu1B—O10B—C1B—C2B | −134.2 (2) |
O7A—Eu1A—N4A—O13A | 158.80 (12) | O13B—N4B—C3B—N5B | 177.42 (18) |
N1A—Eu1A—N4A—O13A | −61.90 (14) | Eu1B—N4B—C3B—N5B | −19.4 (3) |
N2A—Eu1A—N4A—O13A | 14.2 (2) | O13B—N4B—C3B—C4B | −1.4 (2) |
O11A—P1A—N5A—C3A | 55.0 (2) | Eu1B—N4B—C3B—C4B | 161.77 (15) |
C17A—P1A—N5A—C3A | 175.90 (18) | P1B—N5B—C3B—N4B | −38.9 (3) |
C11A—P1A—N5A—C3A | −65.08 (19) | P1B—N5B—C3B—C4B | 139.8 (2) |
C9A—O14A—N6A—C7A | 0.0 (2) | N4B—C3B—C4B—C5B | 1.1 (3) |
O12A—P2A—N7A—C7A | 54.1 (2) | N5B—C3B—C4B—C5B | −177.7 (2) |
C23A—P2A—N7A—C7A | 176.5 (2) | C3B—C4B—C5B—O13B | −0.2 (3) |
C29A—P2A—N7A—C7A | −71.4 (2) | C3B—C4B—C5B—C6B | 177.3 (3) |
O13A—N4A—C3A—N5A | 178.07 (18) | N4B—O13B—C5B—C4B | −0.7 (3) |
Eu1A—N4A—C3A—N5A | −22.2 (3) | N4B—O13B—C5B—C6B | −178.7 (2) |
O13A—N4A—C3A—C4A | −1.5 (2) | O14B—N6B—C7B—N7B | 179.0 (2) |
Eu1A—N4A—C3A—C4A | 158.30 (16) | O14B—N6B—C7B—C8B | −0.6 (3) |
P1A—N5A—C3A—N4A | −35.4 (3) | P2B—N7B—C7B—N6B | −15.5 (3) |
P1A—N5A—C3A—C4A | 144.1 (2) | P2B—N7B—C7B—C8B | 164.1 (2) |
N4A—C3A—C4A—C5A | 0.9 (3) | N6B—C7B—C8B—C9B | 1.1 (3) |
N5A—C3A—C4A—C5A | −178.6 (2) | N7B—C7B—C8B—C9B | −178.5 (3) |
C3A—C4A—C5A—O13A | 0.2 (3) | C7B—C8B—C9B—O14B | −1.1 (3) |
C3A—C4A—C5A—C6A | 178.1 (3) | C7B—C8B—C9B—C10B | 179.4 (4) |
N4A—O13A—C5A—C4A | −1.0 (3) | N6B—O14B—C9B—C8B | 0.8 (3) |
N4A—O13A—C5A—C6A | −179.4 (2) | N6B—O14B—C9B—C10B | −179.6 (3) |
O14A—N6A—C7A—N7A | −177.9 (2) | O11B—P1B—C11B—C12B | −159.02 (18) |
O14A—N6A—C7A—C8A | 0.8 (3) | N5B—P1B—C11B—C12B | 79.6 (2) |
P2A—N7A—C7A—N6A | −6.2 (3) | C17B—P1B—C11B—C12B | −34.8 (2) |
P2A—N7A—C7A—C8A | 175.3 (2) | O11B—P1B—C11B—C16B | 24.2 (2) |
N6A—C7A—C8A—C9A | −1.3 (3) | N5B—P1B—C11B—C16B | −97.18 (19) |
N7A—C7A—C8A—C9A | 177.3 (2) | C17B—P1B—C11B—C16B | 148.45 (18) |
C7A—C8A—C9A—O14A | 1.3 (3) | C16B—C11B—C12B—C13B | 0.0 (3) |
C7A—C8A—C9A—C10A | −177.2 (3) | P1B—C11B—C12B—C13B | −176.70 (18) |
N6A—O14A—C9A—C8A | −0.9 (3) | C11B—C12B—C13B—C14B | 0.2 (4) |
N6A—O14A—C9A—C10A | 177.9 (2) | C12B—C13B—C14B—C15B | 0.0 (4) |
O11A—P1A—C11A—C12A | 18.1 (2) | C13B—C14B—C15B—C16B | −0.4 (4) |
N5A—P1A—C11A—C12A | 139.91 (18) | C14B—C15B—C16B—C11B | 0.6 (4) |
C17A—P1A—C11A—C12A | −108.36 (19) | C12B—C11B—C16B—C15B | −0.4 (3) |
O11A—P1A—C11A—C16A | −159.08 (18) | P1B—C11B—C16B—C15B | 176.46 (18) |
N5A—P1A—C11A—C16A | −37.3 (2) | O11B—P1B—C17B—C22B | −158.95 (18) |
C17A—P1A—C11A—C16A | 74.5 (2) | N5B—P1B—C17B—C22B | −36.7 (2) |
C16A—C11A—C12A—C13A | −0.8 (3) | C11B—P1B—C17B—C22B | 75.2 (2) |
P1A—C11A—C12A—C13A | −178.00 (18) | O11B—P1B—C17B—C18B | 18.8 (2) |
C11A—C12A—C13A—C14A | 0.5 (4) | N5B—P1B—C17B—C18B | 141.03 (18) |
C12A—C13A—C14A—C15A | 0.1 (4) | C11B—P1B—C17B—C18B | −107.06 (19) |
C13A—C14A—C15A—C16A | −0.4 (4) | C22B—C17B—C18B—C19B | −0.8 (3) |
C14A—C15A—C16A—C11A | 0.0 (4) | P1B—C17B—C18B—C19B | −178.58 (18) |
C12A—C11A—C16A—C15A | 0.5 (4) | C17B—C18B—C19B—C20B | 0.3 (4) |
P1A—C11A—C16A—C15A | 177.68 (18) | C18B—C19B—C20B—C21B | 0.2 (4) |
O11A—P1A—C17A—C18A | −162.75 (18) | C19B—C20B—C21B—C22B | −0.2 (4) |
N5A—P1A—C17A—C18A | 76.5 (2) | C20B—C21B—C22B—C17B | −0.3 (4) |
C11A—P1A—C17A—C18A | −37.9 (2) | C18B—C17B—C22B—C21B | 0.8 (3) |
O11A—P1A—C17A—C22A | 22.7 (2) | P1B—C17B—C22B—C21B | 178.54 (18) |
N5A—P1A—C17A—C22A | −98.0 (2) | O12B—P2B—C23B—C24B | 32.4 (2) |
C11A—P1A—C17A—C22A | 147.61 (18) | N7B—P2B—C23B—C24B | 159.1 (2) |
C22A—C17A—C18A—C19A | 1.1 (4) | C29B—P2B—C23B—C24B | −92.8 (2) |
P1A—C17A—C18A—C19A | −173.27 (19) | O12B—P2B—C23B—C28B | −149.15 (19) |
C17A—C18A—C19A—C20A | −0.1 (4) | N7B—P2B—C23B—C28B | −22.4 (2) |
C18A—C19A—C20A—C21A | −0.8 (4) | C29B—P2B—C23B—C28B | 85.7 (2) |
C19A—C20A—C21A—C22A | 0.6 (4) | C28B—C23B—C24B—C25B | −1.2 (4) |
C20A—C21A—C22A—C17A | 0.5 (4) | P2B—C23B—C24B—C25B | 177.2 (2) |
C18A—C17A—C22A—C21A | −1.3 (4) | C23B—C24B—C25B—C26B | 0.5 (5) |
P1A—C17A—C22A—C21A | 173.34 (19) | C24B—C25B—C26B—C27B | 0.7 (5) |
O12A—P2A—C23A—C28A | 12.6 (2) | C25B—C26B—C27B—C28B | −1.2 (5) |
N7A—P2A—C23A—C28A | −111.3 (2) | C26B—C27B—C28B—C23B | 0.5 (4) |
C29A—P2A—C23A—C28A | 136.5 (2) | C24B—C23B—C28B—C27B | 0.7 (4) |
O12A—P2A—C23A—C24A | −171.24 (18) | P2B—C23B—C28B—C27B | −177.7 (2) |
N7A—P2A—C23A—C24A | 64.9 (2) | O12B—P2B—C29B—C30B | −168.31 (19) |
C29A—P2A—C23A—C24A | −47.3 (2) | N7B—P2B—C29B—C30B | 68.1 (2) |
C28A—C23A—C24A—C25A | 1.0 (4) | C23B—P2B—C29B—C30B | −43.8 (2) |
P2A—C23A—C24A—C25A | −175.2 (2) | O12B—P2B—C29B—C34B | 17.8 (2) |
C23A—C24A—C25A—C26A | −0.3 (4) | N7B—P2B—C29B—C34B | −105.8 (2) |
C24A—C25A—C26A—C27A | −0.4 (4) | C23B—P2B—C29B—C34B | 142.35 (19) |
C25A—C26A—C27A—C28A | 0.4 (4) | C34B—C29B—C30B—C31B | 1.6 (4) |
C26A—C27A—C28A—C23A | 0.3 (4) | P2B—C29B—C30B—C31B | −172.3 (2) |
C24A—C23A—C28A—C27A | −1.0 (4) | C29B—C30B—C31B—C32B | −0.5 (4) |
P2A—C23A—C28A—C27A | 175.1 (2) | C30B—C31B—C32B—C33B | −1.4 (4) |
O12A—P2A—C29A—C30A | −141.29 (19) | C31B—C32B—C33B—C34B | 2.2 (4) |
N7A—P2A—C29A—C30A | −13.4 (2) | C32B—C33B—C34B—C29B | −1.1 (4) |
C23A—P2A—C29A—C30A | 93.6 (2) | C30B—C29B—C34B—C33B | −0.8 (4) |
O12A—P2A—C29A—C34A | 43.7 (2) | P2B—C29B—C34B—C33B | 173.16 (19) |
N7A—P2A—C29A—C34A | 171.6 (2) | O11A—Eu1A—O10A—C1'A | 98.3 (6) |
C23A—P2A—C29A—C34A | −81.4 (2) | O12A—Eu1A—O10A—C1'A | −110.7 (6) |
C34A—C29A—C30A—C31A | −0.3 (4) | O2A—Eu1A—O10A—C1'A | 121.5 (6) |
P2A—C29A—C30A—C31A | −175.22 (19) | O8A—Eu1A—O10A—C1'A | 32.5 (6) |
C29A—C30A—C31A—C32A | 0.3 (4) | O5A—Eu1A—O10A—C1'A | −34.0 (6) |
C30A—C31A—C32A—C33A | 0.0 (5) | O1A—Eu1A—O10A—C1'A | −150.7 (6) |
C31A—C32A—C33A—C34A | −0.2 (6) | O4A—Eu1A—O10A—C1'A | −57.2 (6) |
C32A—C33A—C34A—C29A | 0.2 (6) | N4A—Eu1A—O10A—C1'A | 169.4 (6) |
C30A—C29A—C34A—C33A | 0.0 (5) | O7A—Eu1A—O10A—C1'A | 30.4 (6) |
P2A—C29A—C34A—C33A | 175.2 (3) | N1A—Eu1A—O10A—C1'A | −175.2 (6) |
O11B—Eu1B—O1B—N1B | −57.00 (13) | N2A—Eu1A—O10A—C1'A | −44.6 (6) |
O12B—Eu1B—O1B—N1B | 163.97 (13) | O11A—Eu1A—O10A—C1A | 48.2 (4) |
O10B—Eu1B—O1B—N1B | −156.20 (11) | O12A—Eu1A—O10A—C1A | −160.8 (4) |
O8B—Eu1B—O1B—N1B | 21.06 (13) | O2A—Eu1A—O10A—C1A | 71.4 (4) |
O2B—Eu1B—O1B—N1B | −6.17 (11) | O8A—Eu1A—O10A—C1A | −17.6 (4) |
O4B—Eu1B—O1B—N1B | 102.54 (12) | O5A—Eu1A—O10A—C1A | −84.1 (4) |
O5B—Eu1B—O1B—N1B | 82.67 (13) | O1A—Eu1A—O10A—C1A | 159.3 (4) |
N4B—Eu1B—O1B—N1B | −113.89 (13) | O4A—Eu1A—O10A—C1A | −107.3 (4) |
O7B—Eu1B—O1B—N1B | 22.8 (2) | N4A—Eu1A—O10A—C1A | 119.3 (4) |
N2B—Eu1B—O1B—N1B | 94.68 (12) | O7A—Eu1A—O10A—C1A | −19.7 (4) |
O11B—Eu1B—O2B—N1B | 138.32 (13) | N1A—Eu1A—O10A—C1A | 134.7 (4) |
O12B—Eu1B—O2B—N1B | −4.54 (15) | N2A—Eu1A—O10A—C1A | −94.7 (4) |
O10B—Eu1B—O2B—N1B | 112.15 (16) | C1'A—O10A—C1A—C2A | 47.7 (6) |
O8B—Eu1B—O2B—N1B | −145.26 (14) | Eu1A—O10A—C1A—C2A | 164.0 (3) |
O4B—Eu1B—O2B—N1B | −91.46 (13) | C1A—O10A—C1'A—C2'A | −42.4 (7) |
O1B—Eu1B—O2B—N1B | 6.17 (11) | Eu1A—O10A—C1'A—C2'A | −145.3 (4) |
O5B—Eu1B—O2B—N1B | −66.41 (13) | C3'S—O2S—C3S—C4S | −61 (3) |
N4B—Eu1B—O2B—N1B | 69.78 (13) | C3RS—O2S—C3S—C4S | 45.8 (17) |
O7B—Eu1B—O2B—N1B | −163.06 (12) | C3S—O2S—C3'S—C4'S | 57 (3) |
N2B—Eu1B—O2B—N1B | −76.52 (13) | C3RS—O2S—C3'S—C4'S | 12.7 (10) |
O11B—Eu1B—O4B—N2B | 135.31 (12) | C3S—O2S—C3RS—C4RS | −37.0 (16) |
O12B—Eu1B—O4B—N2B | −78.34 (13) | C3'S—O2S—C3RS—C4RS | −2.9 (14) |
D—H···A | D—H | H···A | D···A | D—H···A |
O1S—H1S···O5Bi | 0.88 | 2.12 | 2.941 (3) | 155 |
O1S—H1S···O6Bi | 0.88 | 2.37 | 3.145 (3) | 148 |
O2S—H2S···O4Aii | 0.82 | 2.47 | 3.252 (3) | 159 |
O2S—H2S···O6Aii | 0.82 | 2.31 | 2.997 (3) | 142 |
N5A—H5A···O9Bi | 0.78 (3) | 2.12 (3) | 2.883 (3) | 168 (3) |
N5B—H5B···O9Aii | 0.79 (3) | 2.07 (3) | 2.855 (3) | 174 (3) |
N7A—H7A···O1Siii | 0.84 | 2.02 | 2.842 (3) | 163 |
N7B—H7B···O2Siii | 0.77 (3) | 2.07 (3) | 2.822 (3) | 169 (3) |
O10B—H1OB···N6B | 0.80 | 2.05 | 2.841 (2) | 170 |
O10A—H1OA···N6A | 0.86 | 1.91 | 2.775 (3) | 174 |
Symmetry codes: (i) −x+1, −y+2, −z+1; (ii) −x+1, −y+1, −z+1; (iii) x+1, y, z. |
Experimental details
(m71) | (IGCN) | (IGE) | |
Crystal data | |||
Chemical formula | C14H15N4O4P | C34H36CeN7O14P2·C2H6O | C34H36EuN7O14P2·C2H6O |
Mr | 334.27 | 1014.83 | 1026.67 |
Crystal system, space group | Triclinic, P1 | Monoclinic, P21/n | Monoclinic, P21/n |
Temperature (K) | 100 | 100 | 100 |
a, b, c (Å) | 9.2849 (19), 10.835 (2), 15.295 (3) | 14.8817 (5), 15.9332 (5), 36.7289 (12) | 14.8395 (5), 15.8178 (5), 36.7471 (11) |
α, β, γ (°) | 89.96 (4), 84.78 (3), 80.54 (2) | 90, 96.133 (1), 90 | 90, 96.168 (1), 90 |
V (Å3) | 1511.4 (5) | 8659.1 (5) | 8575.6 (5) |
Z | 4 | 8 | 8 |
Radiation type | Mo Kα | Mo Kα | Mo Kα |
µ (mm−1) | 0.21 | 1.20 | 1.61 |
Crystal size (mm) | 0.33 × 0.13 × 0.07 | 0.17 × 0.12 × 0.10 | 0.17 × 0.12 × 0.10 |
Data collection | |||
Diffractometer | Bruker APEX II CCD area detector diffractometer | Bruker APEX-II CCD diffractometer | Bruker APEX II CCD area detector' diffractometer |
Absorption correction | Multi-scan TWINABS | Multi-scan SADABS (Sheldrick, 2003) | Multi-scan SADABS (Sheldrick, 2003) |
Tmin, Tmax | 0.934, 0.986 | 0.741, 0.889 | 0.771, 0.855 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 7171, 7171, 4896 | 98260, 20861, 14486 | 104605, 22773, 18894 |
Rint | 0.065 | 0.081 | 0.036 |
(sin θ/λ)max (Å−1) | 0.661 | 0.661 | 0.682 |
Refinement | |||
R[F2 > 2σ(F2)], wR(F2), S | 0.098, 0.195, 1.09 | 0.046, 0.090, 1.05 | 0.029, 0.062, 1.01 |
No. of reflections | 7171 | 20861 | 22773 |
No. of parameters | 423 | 1157 | 1176 |
No. of restraints | 12 | 0 | 0 |
H-atom treatment | H-atom parameters constrained | H atoms treated by a mixture of independent and constrained refinement | H atoms treated by a mixture of independent and constrained refinement |
w = 1/[σ2(Fo2) + (0.010P)2 + 11.7247P] where P = (Fo2 + 2Fc2)/3 | w = 1/[σ2(Fo2) + (0.0251P)2 + 14.9859P] where P = (Fo2 + 2Fc2)/3 | w = 1/[σ2(Fo2) + (0.0191P)2 + 13.8245P] where P = (Fo2 + 2Fc2)/3 | |
Δρmax, Δρmin (e Å−3) | 1.16, −0.65 | 1.08, −1.34 | 0.93, −1.44 |
Computer programs: Bruker APEX II, APEX2 (Bruker, 2005), Bruker SAINT, SAINTPlus, v. 6.2 (Bruker, 2001), SHELXS97 (Sheldrick, 1997), SHELXTL (Sheldrick, 2008), SHELXL97 (Sheldrick, 1997), Bruker SHELXTL.
D—H···A | D—H | H···A | D···A | D—H···A |
N5A—H5A···O9Bi | 0.80 (5) | 2.13 (5) | 2.914 (4) | 168 (5) |
N5B—H5B···O9A | 0.87 (5) | 2.01 (5) | 2.877 (4) | 173 (6) |
N7A—H7A···O1S | 0.79 (4) | 2.07 (5) | 2.838 (5) | 165 (5) |
N7B—H7B···O2S | 0.76 (5) | 2.08 (5) | 2.830 (5) | 167 (5) |
O10A—H10V···N6A | 0.73 (6) | 2.06 (6) | 2.786 (4) | 179 (9) |
O10B—H10W···N6B | 0.71 (5) | 2.15 (5) | 2.858 (4) | 170 (5) |
O1S—H1S···O5Bii | 0.82 (6) | 2.14 (6) | 2.919 (4) | 161 (5) |
O1S—H1S···O6Bii | 0.82 (6) | 2.51 (6) | 3.166 (5) | 138 (5) |
O2S—H2S···O4Aiii | 0.82 (6) | 2.43 (6) | 3.209 (5) | 159 (6) |
O2S—H2S···O6Aiii | 0.82 (6) | 2.33 (6) | 2.983 (6) | 137 (5) |
Symmetry codes: (i) x, y−1, z; (ii) x−1, y−1, z; (iii) x+1, y, z. |
D—H···A | D—H | H···A | D···A | D—H···A |
O1S—H1S···O5Bi | 0.88 | 2.12 | 2.941 (3) | 155 |
O1S—H1S···O6Bi | 0.88 | 2.37 | 3.145 (3) | 148 |
O2S—H2S···O4Aii | 0.82 | 2.47 | 3.252 (3) | 159 |
O2S—H2S···O6Aii | 0.82 | 2.31 | 2.997 (3) | 142 |
N5A—H5A···O9Bi | 0.78 (3) | 2.12 (3) | 2.883 (3) | 168 (3) |
N5B—H5B···O9Aii | 0.79 (3) | 2.07 (3) | 2.855 (3) | 174 (3) |
N7A—H7A···O1Siii | 0.84 | 2.02 | 2.842 (3) | 163 |
N7B—H7B···O2Siii | 0.77 (3) | 2.07 (3) | 2.822 (3) | 169 (3) |
O10B—H1OB···N6B | 0.80 | 2.05 | 2.841 (2) | 170 |
O10A—H1OA···N6A | 0.86 | 1.91 | 2.775 (3) | 174 |
Symmetry codes: (i) −x+1, −y+2, −z+1; (ii) −x+1, −y+1, −z+1; (iii) x+1, y, z. |
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