Download citation
Download citation
link to html
In this study, the synthesis and spectroscopic characterization of new phosphoramides based on 3-amino-5-methylisoxazole with the formula R2P(O)[NH–C4H4NO], R = C6H5O (1), C6H5 (2), RP(O)[NH—C4H4NO]2, R = C6H5O (3), CH3—C6H4O (4), C6H5NH (5), (C6H5)ClP(O)[NH–C4H4NO] (6) and two lanthanide complexes [Ln(2)2(NO3)3(EtOH)]·EtOH, LnIII = Ce (7) and Eu (8), have been reported. The structural study of (3) shows the presence of two conformers (crystallographically independent molecules) in the crystalline lattice, caused by different orientations of the phenyl and isoxazole rings. For (3), the intermolecular interactions have been studied by Hirshfeld surface analysis and fingerprint plots. Furthermore, the electronic and energy aspects of hydrogen bonds between molecules of (3) have been explored by density functional theory (DFT) calculations. X-ray crystallography of complexes (7) and (8) reveals that two phosphoramide ligands take part in coordination to the metal, one as monodentate from Ophosphoryl, and the other one as chelate through Ophosphoryl and Nring. The complexes are also composed of two conformers in the solid-state structure. Quantum theory of atoms in molecules (QTAIM) analysis discloses the electrostatic nature of the Ln–ligand interaction.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520615003297/eb5037sup1.cif
Contains datablocks m71, IGCN, IGE

fcf

Structure factor file (CIF format) https://doi.org/10.1107/S2052520615003297/eb5037m71sup2.fcf
Contains datablock m71

fcf

Structure factor file (CIF format) https://doi.org/10.1107/S2052520615003297/eb5037IGCNsup3.fcf
Contains datablock sad

fcf

Structure factor file (CIF format) https://doi.org/10.1107/S2052520615003297/eb5037IGEsup4.fcf
Contains datablock sad

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S2052520615003297/eb5037sup5.pdf
Extra tables and figures

CCDC reference: 989380

Experimental top

Refinement top

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.

Experimental top

Refinement top

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.

Experimental top

Refinement top

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.

Computing details top

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.

Figures top
[Figure 1]
[Figure 2]
[Figure 3]
[Figure 4]
[Figure 5]
[Figure 6]
(m71) top
Crystal data top
C14H15N4O4PZ = 4
Mr = 334.27F(000) = 696
Triclinic, P1Dx = 1.469 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.2849 (19) ÅCell parameters from 1098 reflections
b = 10.835 (2) Åθ = 3–28°
c = 15.295 (3) ŵ = 0.21 mm1
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
Data collection top
Bruker APEX II CCD area detector
diffractometer
7171 independent reflections
Radiation source: fine-focus sealed tube4896 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.065
ω scansθmax = 28.0°, θmin = 1.3°
Absorption correction: multi-scan
TWINABS
h = 1212
Tmin = 0.934, Tmax = 0.986k = 1414
7171 measured reflectionsl = 020
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.098Hydrogen site location: mixed
wR(F2) = 0.195H-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 parametersΔρmax = 1.16 e Å3
12 restraintsΔρmin = 0.65 e Å3
Crystal data top
C14H15N4O4Pγ = 80.54 (2)°
Mr = 334.27V = 1511.4 (5) Å3
Triclinic, P1Z = 4
a = 9.2849 (19) ÅMo Kα radiation
b = 10.835 (2) ŵ = 0.21 mm1
c = 15.295 (3) ÅT = 100 K
α = 89.96 (4)°0.33 × 0.13 × 0.07 mm
β = 84.78 (3)°
Data collection top
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 = 0.986Rint = 0.065
7171 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.09812 restraints
wR(F2) = 0.195H-atom parameters constrained
S = 1.09 w = 1/[σ2(Fo2) + (0.010P)2 + 11.7247P]
where P = (Fo2 + 2Fc2)/3
7171 reflectionsΔρmax = 1.16 e Å3
423 parametersΔρmin = 0.65 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
P10.11291 (13)0.94793 (11)0.78152 (8)0.0110 (2)
P20.12521 (13)0.45070 (11)0.71535 (8)0.0113 (2)
O10.1509 (4)1.0574 (3)0.7323 (2)0.0148 (7)
O1A0.1527 (4)0.5625 (3)0.7612 (2)0.0151 (7)
O20.2331 (3)0.8756 (3)0.8384 (2)0.0141 (7)
O2A0.2579 (4)0.3794 (3)0.6539 (2)0.0154 (7)
O30.1734 (4)0.7672 (3)0.9800 (2)0.0193 (7)
O3A0.1791 (4)0.3037 (3)0.9516 (2)0.0163 (7)
O40.1429 (4)0.7990 (3)0.5553 (2)0.0165 (7)
O4A0.1702 (4)0.2642 (3)0.5575 (2)0.0178 (7)
N10.0242 (4)0.9941 (4)0.8531 (3)0.0142 (8)
H1N0.04841.07890.85520.038 (18)*
N1A0.0837 (4)0.3358 (3)0.7802 (2)0.0126 (8)
H1NA0.09680.25700.75710.033 (17)*
N20.0717 (5)0.8003 (4)0.9130 (3)0.0186 (9)
N2A0.0819 (4)0.2579 (4)0.8791 (3)0.0156 (8)
N30.0797 (4)0.8327 (3)0.7202 (2)0.0117 (8)
H3N0.09880.75360.74120.032 (17)*
N3A0.0032 (4)0.4925 (4)0.6504 (2)0.0131 (8)
H3NA0.01620.57580.63860.033 (17)*
N40.0504 (4)0.7523 (4)0.6191 (3)0.0151 (8)
N4A0.0664 (4)0.2979 (4)0.6119 (3)0.0146 (8)
C10.1008 (5)0.9232 (4)0.9104 (3)0.0140 (9)
C1A0.0217 (5)0.3537 (4)0.8502 (3)0.0127 (9)
C20.2159 (5)0.9740 (5)0.9727 (3)0.0178 (10)
H2A0.25551.05970.98350.021*
C2A0.0769 (5)0.4648 (4)0.8999 (3)0.0127 (9)
H2AA0.05280.54610.89130.015*
C30.2576 (5)0.8732 (5)1.0136 (3)0.0177 (10)
C3A0.1717 (5)0.4269 (4)0.9624 (3)0.0134 (9)
C40.3696 (6)0.8569 (5)1.0854 (3)0.0253 (12)
H4A0.42860.93841.10200.038*
H4B0.32150.82081.13610.038*
H4C0.43320.80081.06570.038*
C4A0.2644 (5)0.4900 (4)1.0382 (3)0.0168 (10)
H4AA0.24210.44391.09180.025*
H4AB0.36800.49241.02910.025*
H4AC0.24480.57561.04400.025*
C50.0129 (5)0.8509 (4)0.6547 (3)0.0118 (9)
C5A0.0817 (5)0.4207 (4)0.6049 (3)0.0125 (9)
C60.0790 (5)0.9645 (4)0.6176 (3)0.0148 (9)
H6A0.06931.04770.63240.018*
C6A0.1891 (5)0.4711 (4)0.5491 (3)0.0150 (9)
H6AA0.21880.55600.53430.018*
C70.1579 (5)0.9266 (4)0.5568 (3)0.0150 (9)
C7A0.2391 (5)0.3692 (4)0.5220 (3)0.0158 (10)
C80.2553 (6)0.9912 (5)0.4931 (3)0.0209 (11)
H8A0.26161.08200.49980.031*
H8B0.35340.96900.50440.031*
H8C0.21520.96540.43320.031*
C8A0.3516 (6)0.3516 (5)0.4626 (3)0.0209 (11)
H8AA0.39700.43330.44200.031*
H8AB0.42680.31060.49430.031*
H8AC0.30540.29930.41220.031*
C90.3740 (5)0.8192 (4)0.8088 (3)0.0132 (9)
C9A0.3917 (5)0.3273 (5)0.6881 (3)0.0162 (10)
C100.4527 (6)0.7528 (4)0.8705 (3)0.0178 (10)
H10A0.40940.74700.92880.021*
C10A0.4747 (6)0.4042 (5)0.7255 (3)0.0201 (10)
H10B0.44280.49190.73080.024*
C110.5941 (6)0.6948 (5)0.8474 (4)0.0246 (12)
H11A0.64940.64930.88980.030*
C11A0.6066 (6)0.3484 (5)0.7548 (4)0.0239 (11)
H11B0.66620.39860.78100.029*
C120.6553 (6)0.7028 (5)0.7628 (4)0.0260 (12)
H12A0.75310.66280.74670.031*
C12A0.6526 (6)0.2201 (5)0.7465 (3)0.0218 (11)
H12B0.74350.18330.76650.026*
C130.5752 (6)0.7690 (5)0.7010 (4)0.0260 (12)
H13A0.61760.77300.64240.031*
C13A0.5661 (6)0.1459 (5)0.7091 (3)0.0219 (11)
H13B0.59730.05790.70420.026*
C140.4334 (6)0.8293 (5)0.7241 (3)0.0187 (10)
H14A0.37860.87650.68240.022*
C14A0.4352 (5)0.1989 (5)0.6791 (3)0.0178 (10)
H14B0.37580.14860.65280.021*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
P10.0138 (6)0.0083 (5)0.0111 (5)0.0009 (4)0.0072 (4)0.0015 (4)
P20.0147 (6)0.0089 (5)0.0104 (5)0.0003 (4)0.0061 (4)0.0016 (4)
O10.0221 (18)0.0101 (15)0.0126 (16)0.0011 (13)0.0057 (13)0.0007 (12)
O1A0.0187 (17)0.0110 (16)0.0160 (17)0.0015 (13)0.0062 (13)0.0001 (13)
O20.0140 (16)0.0153 (16)0.0110 (15)0.0060 (13)0.0060 (13)0.0006 (12)
O2A0.0188 (17)0.0141 (16)0.0132 (16)0.0011 (13)0.0042 (13)0.0009 (13)
O30.0200 (18)0.0135 (17)0.0233 (19)0.0012 (14)0.0012 (15)0.0035 (14)
O3A0.0223 (18)0.0099 (16)0.0167 (17)0.0023 (13)0.0022 (14)0.0004 (13)
O40.0203 (17)0.0146 (17)0.0166 (17)0.0037 (13)0.0116 (14)0.0027 (13)
O4A0.0268 (19)0.0122 (16)0.0169 (17)0.0051 (14)0.0110 (14)0.0022 (13)
N10.020 (2)0.0063 (18)0.016 (2)0.0001 (15)0.0030 (16)0.0003 (15)
N1A0.020 (2)0.0062 (18)0.0103 (18)0.0015 (15)0.0033 (15)0.0003 (14)
N20.023 (2)0.013 (2)0.019 (2)0.0004 (17)0.0005 (17)0.0053 (16)
N2A0.018 (2)0.0130 (19)0.015 (2)0.0004 (16)0.0020 (16)0.0000 (15)
N30.0172 (19)0.0066 (18)0.0119 (18)0.0002 (15)0.0089 (15)0.0033 (14)
N3A0.0167 (19)0.0094 (18)0.0139 (19)0.0008 (15)0.0082 (15)0.0022 (15)
N40.019 (2)0.0110 (19)0.016 (2)0.0014 (16)0.0102 (16)0.0026 (15)
N4A0.019 (2)0.0108 (19)0.016 (2)0.0030 (15)0.0124 (16)0.0008 (15)
C10.016 (2)0.010 (2)0.015 (2)0.0019 (17)0.0069 (18)0.0015 (17)
C1A0.015 (2)0.011 (2)0.013 (2)0.0014 (17)0.0102 (17)0.0029 (16)
C20.022 (3)0.015 (2)0.015 (2)0.0001 (19)0.0011 (19)0.0011 (18)
C2A0.015 (2)0.010 (2)0.013 (2)0.0029 (17)0.0081 (18)0.0003 (17)
C30.019 (2)0.017 (2)0.017 (2)0.0019 (19)0.0042 (19)0.0019 (19)
C3A0.013 (2)0.010 (2)0.018 (2)0.0019 (17)0.0113 (18)0.0020 (17)
C40.032 (3)0.025 (3)0.018 (3)0.003 (2)0.001 (2)0.006 (2)
C4A0.020 (2)0.013 (2)0.017 (2)0.0014 (19)0.0035 (19)0.0022 (18)
C50.012 (2)0.009 (2)0.013 (2)0.0014 (16)0.0016 (17)0.0020 (17)
C5A0.012 (2)0.015 (2)0.010 (2)0.0003 (17)0.0045 (17)0.0010 (17)
C60.019 (2)0.010 (2)0.016 (2)0.0005 (18)0.0086 (19)0.0026 (17)
C6A0.018 (2)0.013 (2)0.013 (2)0.0010 (18)0.0025 (18)0.0018 (17)
C70.018 (2)0.013 (2)0.014 (2)0.0004 (18)0.0057 (19)0.0011 (17)
C7A0.020 (2)0.017 (2)0.010 (2)0.0007 (19)0.0068 (18)0.0017 (17)
C80.026 (3)0.016 (2)0.022 (3)0.000 (2)0.017 (2)0.002 (2)
C8A0.025 (3)0.017 (2)0.022 (3)0.004 (2)0.010 (2)0.002 (2)
C90.008 (2)0.012 (2)0.020 (2)0.0001 (17)0.0093 (18)0.0011 (18)
C9A0.016 (2)0.018 (2)0.013 (2)0.0002 (19)0.0017 (18)0.0000 (18)
C100.024 (3)0.016 (2)0.015 (2)0.0032 (19)0.008 (2)0.0027 (18)
C10A0.025 (3)0.017 (2)0.019 (2)0.005 (2)0.006 (2)0.0016 (19)
C110.021 (3)0.022 (3)0.030 (3)0.002 (2)0.010 (2)0.006 (2)
C11A0.020 (3)0.029 (3)0.026 (3)0.007 (2)0.011 (2)0.003 (2)
C120.021 (3)0.019 (3)0.037 (3)0.001 (2)0.005 (2)0.000 (2)
C12A0.015 (2)0.026 (3)0.023 (3)0.000 (2)0.005 (2)0.003 (2)
C130.026 (3)0.027 (3)0.024 (3)0.005 (2)0.003 (2)0.002 (2)
C13A0.021 (3)0.020 (3)0.024 (3)0.001 (2)0.005 (2)0.000 (2)
C140.022 (3)0.018 (2)0.017 (2)0.002 (2)0.006 (2)0.0032 (19)
C14A0.017 (2)0.020 (2)0.017 (2)0.0060 (19)0.0009 (19)0.0036 (19)
Geometric parameters (Å, º) top
P1—O11.479 (3)C4—H4C0.9800
P1—O21.583 (3)C4A—H4AA0.9800
P1—N11.615 (4)C4A—H4AB0.9800
P1—N31.647 (4)C4A—H4AC0.9800
P2—O1A1.470 (3)C5—C61.424 (6)
P2—O2A1.574 (4)C5A—C6A1.413 (6)
P2—N3A1.628 (4)C6—C71.339 (7)
P2—N1A1.664 (4)C6—H6A0.9500
O2—C91.385 (5)C6A—C7A1.344 (7)
O2A—C9A1.422 (6)C6A—H6AA0.9500
O3—C31.351 (6)C7—C81.485 (6)
O3—N21.416 (5)C7A—C8A1.480 (7)
O3A—C3A1.359 (5)C8—H8A0.9800
O3A—N2A1.400 (5)C8—H8B0.9800
O4—C71.366 (6)C8—H8C0.9800
O4—N41.399 (5)C8A—H8AA0.9800
O4A—C7A1.350 (5)C8A—H8AB0.9800
O4A—N4A1.420 (5)C8A—H8AC0.9800
N1—C11.389 (6)C9—C141.373 (7)
N1—H1N0.9100C9—C101.376 (6)
N1A—C1A1.375 (6)C9A—C10A1.381 (7)
N1A—H1NA0.9099C9A—C14A1.387 (7)
N2—C11.316 (6)C10—C111.375 (7)
N2A—C1A1.315 (6)C10—H10A0.9500
N3—C51.372 (6)C10A—C11A1.386 (7)
N3—H3N0.9099C10A—H10B0.9500
N3A—C5A1.379 (6)C11—C121.374 (8)
N3A—H3NA0.9100C11—H11A0.9500
N4—C51.310 (6)C11A—C12A1.387 (7)
N4A—C5A1.321 (6)C11A—H11B0.9500
C1—C21.405 (7)C12—C131.383 (8)
C1A—C2A1.420 (6)C12—H12A0.9500
C2—C31.352 (7)C12A—C13A1.384 (7)
C2—H2A0.9500C12A—H12B0.9500
C2A—C3A1.349 (7)C13—C141.385 (7)
C2A—H2AA0.9500C13—H13A0.9500
C3—C41.474 (7)C13A—C14A1.374 (7)
C3A—C4A1.477 (7)C13A—H13B0.9500
C4—H4A0.9800C14—H14A0.9500
C4—H4B0.9800C14A—H14B0.9500
O1—P1—O2117.1 (2)N4—C5—C6112.2 (4)
O1—P1—N1109.0 (2)N3—C5—C6129.6 (4)
O2—P1—N1103.46 (19)N4A—C5A—N3A122.7 (4)
O1—P1—N3114.91 (19)N4A—C5A—C6A113.7 (4)
O2—P1—N3100.85 (18)N3A—C5A—C6A123.6 (4)
N1—P1—N3110.8 (2)C7—C6—C5103.8 (4)
O1A—P2—O2A116.0 (2)C7—C6—H6A128.1
O1A—P2—N3A108.7 (2)C5—C6—H6A128.1
O2A—P2—N3A104.71 (19)C7A—C6A—C5A103.0 (4)
O1A—P2—N1A115.2 (2)C7A—C6A—H6AA128.5
O2A—P2—N1A101.09 (19)C5A—C6A—H6AA128.5
N3A—P2—N1A110.5 (2)C6—C7—O4110.3 (4)
C9—O2—P1127.1 (3)C6—C7—C8134.6 (5)
C9A—O2A—P2121.1 (3)O4—C7—C8115.1 (4)
C3—O3—N2108.4 (4)C6A—C7A—O4A111.2 (4)
C3A—O3A—N2A107.9 (3)C6A—C7A—C8A132.8 (4)
C7—O4—N4108.3 (3)O4A—C7A—C8A115.9 (4)
C7A—O4A—N4A108.5 (3)C7—C8—H8A109.5
C1—N1—P1129.0 (3)C7—C8—H8B109.5
C1—N1—H1N119.2H8A—C8—H8B109.5
P1—N1—H1N111.8C7—C8—H8C109.5
C1A—N1A—P2123.4 (3)H8A—C8—H8C109.5
C1A—N1A—H1NA112.6H8B—C8—H8C109.5
P2—N1A—H1NA118.3C7A—C8A—H8AA109.5
C1—N2—O3104.8 (4)C7A—C8A—H8AB109.5
C1A—N2A—O3A105.5 (4)H8AA—C8A—H8AB109.5
C5—N3—P1122.9 (3)C7A—C8A—H8AC109.5
C5—N3—H3N116.5H8AA—C8A—H8AC109.5
P1—N3—H3N117.8H8AB—C8A—H8AC109.5
C5A—N3A—P2130.2 (3)C14—C9—C10121.5 (4)
C5A—N3A—H3NA116.6C14—C9—O2122.9 (4)
P2—N3A—H3NA112.9C10—C9—O2115.6 (4)
C5—N4—O4105.4 (3)C10A—C9A—C14A122.7 (5)
C5A—N4A—O4A103.6 (3)C10A—C9A—O2A120.2 (4)
N2—C1—N1123.3 (4)C14A—C9A—O2A117.1 (4)
N2—C1—C2112.5 (4)C11—C10—C9119.7 (5)
N1—C1—C2124.2 (4)C11—C10—H10A120.2
N2A—C1A—N1A118.9 (4)C9—C10—H10A120.2
N2A—C1A—C2A112.4 (4)C9A—C10A—C11A117.5 (5)
N1A—C1A—C2A128.8 (4)C9A—C10A—H10B121.3
C3—C2—C1104.3 (4)C11A—C10A—H10B121.3
C3—C2—H2A127.8C12—C11—C10119.7 (5)
C1—C2—H2A127.8C12—C11—H11A120.1
C3A—C2A—C1A103.2 (4)C10—C11—H11A120.1
C3A—C2A—H2AA128.4C10A—C11A—C12A120.9 (5)
C1A—C2A—H2AA128.4C10A—C11A—H11B119.6
O3—C3—C2110.0 (4)C12A—C11A—H11B119.6
O3—C3—C4116.1 (4)C11—C12—C13120.3 (5)
C2—C3—C4133.9 (5)C11—C12—H12A119.9
C2A—C3A—O3A110.9 (4)C13—C12—H12A119.9
C2A—C3A—C4A133.7 (4)C13A—C12A—C11A120.1 (5)
O3A—C3A—C4A115.4 (4)C13A—C12A—H12B119.9
C3—C4—H4A109.5C11A—C12A—H12B119.9
C3—C4—H4B109.5C12—C13—C14120.3 (5)
H4A—C4—H4B109.5C12—C13—H13A119.8
C3—C4—H4C109.5C14—C13—H13A119.8
H4A—C4—H4C109.5C14A—C13A—C12A120.2 (5)
H4B—C4—H4C109.5C14A—C13A—H13B119.9
C3A—C4A—H4AA109.5C12A—C13A—H13B119.9
C3A—C4A—H4AB109.5C9—C14—C13118.4 (5)
H4AA—C4A—H4AB109.5C9—C14—H14A120.8
C3A—C4A—H4AC109.5C13—C14—H14A120.8
H4AA—C4A—H4AC109.5C13A—C14A—C9A118.7 (5)
H4AB—C4A—H4AC109.5C13A—C14A—H14B120.7
N4—C5—N3118.2 (4)C9A—C14A—H14B120.7
O1—P1—O2—C958.7 (4)N2A—O3A—C3A—C4A178.2 (4)
N1—P1—O2—C9178.6 (4)O4—N4—C5—N3179.6 (4)
N3—P1—O2—C966.7 (4)O4—N4—C5—C60.7 (5)
O1A—P2—O2A—C9A60.7 (4)P1—N3—C5—N4169.3 (3)
N3A—P2—O2A—C9A179.5 (3)P1—N3—C5—C610.2 (7)
N1A—P2—O2A—C9A64.7 (4)O4A—N4A—C5A—N3A177.8 (4)
O1—P1—N1—C1176.5 (4)O4A—N4A—C5A—C6A0.1 (5)
O2—P1—N1—C158.2 (5)P2—N3A—C5A—N4A3.5 (7)
N3—P1—N1—C149.1 (5)P2—N3A—C5A—C6A178.8 (4)
O1A—P2—N1A—C1A49.7 (4)N4—C5—C6—C70.4 (6)
O2A—P2—N1A—C1A175.5 (4)N3—C5—C6—C7180.0 (5)
N3A—P2—N1A—C1A74.0 (4)N4A—C5A—C6A—C7A0.0 (6)
C3—O3—N2—C10.0 (5)N3A—C5A—C6A—C7A178.0 (4)
C3A—O3A—N2A—C1A0.1 (5)C5—C6—C7—O40.1 (5)
O1—P1—N3—C548.8 (4)C5—C6—C7—C8179.5 (6)
O2—P1—N3—C5175.7 (4)N4—O4—C7—C60.6 (5)
N1—P1—N3—C575.3 (4)N4—O4—C7—C8179.2 (4)
O1A—P2—N3A—C5A168.7 (4)C5A—C6A—C7A—O4A0.2 (5)
O2A—P2—N3A—C5A66.8 (5)C5A—C6A—C7A—C8A179.8 (5)
N1A—P2—N3A—C5A41.3 (5)N4A—O4A—C7A—C6A0.2 (5)
C7—O4—N4—C50.8 (5)N4A—O4A—C7A—C8A179.7 (4)
C7A—O4A—N4A—C5A0.2 (5)P1—O2—C9—C146.2 (7)
O3—N2—C1—N1179.6 (4)P1—O2—C9—C10174.5 (3)
O3—N2—C1—C20.5 (5)P2—O2A—C9A—C10A63.1 (6)
P1—N1—C1—N21.5 (7)P2—O2A—C9A—C14A119.0 (4)
P1—N1—C1—C2177.5 (4)C14—C9—C10—C110.0 (8)
O3A—N2A—C1A—N1A177.8 (4)O2—C9—C10—C11179.3 (5)
O3A—N2A—C1A—C2A1.1 (5)C14A—C9A—C10A—C11A0.1 (8)
P2—N1A—C1A—N2A157.4 (3)O2A—C9A—C10A—C11A177.8 (4)
P2—N1A—C1A—C2A23.9 (7)C9—C10—C11—C120.5 (8)
N2—C1—C2—C30.7 (6)C9A—C10A—C11A—C12A0.2 (8)
N1—C1—C2—C3179.9 (5)C10—C11—C12—C130.0 (9)
N2A—C1A—C2A—C3A1.7 (5)C10A—C11A—C12A—C13A0.5 (8)
N1A—C1A—C2A—C3A177.0 (4)C11—C12—C13—C141.0 (9)
N2—O3—C3—C20.5 (5)C11A—C12A—C13A—C14A0.8 (8)
N2—O3—C3—C4179.4 (4)C10—C9—C14—C131.0 (8)
C1—C2—C3—O30.7 (6)O2—C9—C14—C13179.8 (5)
C1—C2—C3—C4179.4 (6)C12—C13—C14—C91.5 (8)
C1A—C2A—C3A—O3A1.6 (5)C12A—C13A—C14A—C9A0.7 (8)
C1A—C2A—C3A—C4A177.4 (5)C10A—C9A—C14A—C13A0.3 (8)
N2A—O3A—C3A—C2A1.1 (5)O2A—C9A—C14A—C13A178.1 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1A—H1NA···O1i0.912.163.054 (5)166
N1—H1N···N2Aii0.911.942.842 (6)170
N3A—H3NA···N40.911.912.824 (6)177
N3—H3N···O1A0.912.082.974 (5)168
Symmetry codes: (i) x, y1, z; (ii) x, y+1, z.
(IGCN) top
Crystal data top
C34H36CeN7O14P2·C2H6OF(000) = 4120
Mr = 1014.83Dx = 1.557 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 14.8817 (5) ÅCell parameters from 9920 reflections
b = 15.9332 (5) Åθ = 2.3–30.5°
c = 36.7289 (12) ŵ = 1.20 mm1
β = 96.133 (1)°T = 100 K
V = 8659.1 (5) Å3Prism, colourless
Z = 80.17 × 0.12 × 0.10 mm
Data collection top
Bruker APEX-II CCD
diffractometer
20861 independent reflections
Radiation source: fine-focus sealed tube14486 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.081
ϕ and ω scansθmax = 28.0°, θmin = 1.7°
Absorption correction: multi-scan
SADABS (Sheldrick, 2003)
h = 1919
Tmin = 0.741, Tmax = 0.889k = 2121
98260 measured reflectionsl = 4848
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.046Hydrogen site location: mixed
wR(F2) = 0.090H 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 parametersΔρmax = 1.08 e Å3
0 restraintsΔρmin = 1.34 e Å3
Crystal data top
C34H36CeN7O14P2·C2H6OV = 8659.1 (5) Å3
Mr = 1014.83Z = 8
Monoclinic, P21/nMo Kα radiation
a = 14.8817 (5) ŵ = 1.20 mm1
b = 15.9332 (5) ÅT = 100 K
c = 36.7289 (12) Å0.17 × 0.12 × 0.10 mm
β = 96.133 (1)°
Data collection top
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 = 0.889Rint = 0.081
98260 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0460 restraints
wR(F2) = 0.090H 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 reflectionsΔρmax = 1.08 e Å3
1157 parametersΔρmin = 1.34 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ce1A0.269159 (14)0.481741 (14)0.123985 (5)0.01154 (5)
P1A0.48040 (7)0.36220 (6)0.12083 (3)0.0138 (2)
P2A0.03072 (7)0.37417 (6)0.12068 (3)0.0146 (2)
O1A0.2353 (2)0.47363 (18)0.19169 (7)0.0222 (6)
O2A0.3526 (2)0.54571 (19)0.18160 (8)0.0240 (7)
O3A0.3019 (2)0.55200 (19)0.23494 (8)0.0341 (8)
O4A0.1686 (2)0.60666 (19)0.14478 (8)0.0264 (7)
O5A0.1623 (2)0.58623 (18)0.08617 (8)0.0226 (7)
O6A0.0764 (3)0.6798 (2)0.10756 (11)0.0494 (10)
O7A0.33430 (19)0.54397 (16)0.06335 (7)0.0181 (6)
O8A0.35937 (19)0.61651 (16)0.11349 (7)0.0163 (6)
O9A0.4310 (2)0.64657 (18)0.06643 (8)0.0242 (7)
O10A0.2399 (2)0.3843 (2)0.07019 (8)0.0203 (7)
H10V0.216 (4)0.347 (4)0.0751 (17)0.06 (2)*
O11A0.42547 (18)0.44113 (17)0.11888 (8)0.0171 (6)
O12A0.12034 (18)0.41706 (17)0.12574 (7)0.0169 (6)
O13A0.24718 (18)0.28949 (17)0.17459 (7)0.0185 (6)
O14A0.1901 (2)0.16903 (18)0.07754 (8)0.0221 (6)
N1A0.2967 (2)0.5240 (2)0.20367 (9)0.0221 (8)
N2A0.1349 (2)0.6255 (2)0.11251 (11)0.0243 (8)
N3A0.3757 (2)0.6034 (2)0.08087 (9)0.0163 (7)
N4A0.3061 (2)0.3258 (2)0.15124 (8)0.0150 (7)
N5A0.4167 (2)0.2770 (2)0.11596 (9)0.0152 (7)
H5A0.432 (3)0.240 (3)0.1033 (13)0.023 (13)*
N6A0.1458 (2)0.2420 (2)0.08856 (9)0.0181 (7)
N7A0.0333 (2)0.2715 (2)0.12680 (10)0.0172 (7)
H7A0.005 (3)0.253 (3)0.1421 (12)0.018 (12)*
C1A0.2781 (4)0.3661 (4)0.03635 (14)0.0246 (12)0.82
H1AA0.33590.33570.04220.030*0.82
H1AB0.29160.41970.02440.030*0.82
C2A0.2180 (4)0.3151 (4)0.01022 (14)0.0302 (13)0.82
H2AA0.24320.31250.01330.045*0.82
H2AB0.15790.34100.00670.045*0.82
H2AC0.21300.25820.02000.045*0.82
C1'A0.229 (2)0.3814 (18)0.0323 (7)0.028 (6)*0.18
H1'A0.25720.43110.02210.034*0.18
H1'B0.16360.38150.02330.034*0.18
C2'A0.2736 (19)0.3002 (16)0.0199 (7)0.025 (5)*0.18
H2'A0.28110.30420.00630.037*0.18
H2'B0.23530.25190.02400.037*0.18
H2'C0.33290.29310.03390.037*0.18
C3A0.3503 (3)0.2623 (2)0.13921 (10)0.0142 (8)
C4A0.3238 (3)0.1851 (2)0.15310 (11)0.0181 (8)
H4AA0.34630.13090.14830.022*
C5A0.2591 (3)0.2054 (2)0.17487 (11)0.0189 (9)
C6A0.2038 (4)0.1572 (3)0.19818 (12)0.0318 (11)
H6AA0.13990.17170.19210.048*
H6AB0.22210.17060.22390.048*
H6AC0.21230.09710.19410.048*
C7A0.0872 (3)0.2148 (2)0.10990 (11)0.0165 (8)
C8A0.0888 (3)0.1267 (3)0.11385 (11)0.0223 (9)
H8AA0.05220.09290.12760.027*
C9A0.1541 (3)0.1018 (3)0.09364 (12)0.0247 (10)
C10A0.1958 (4)0.0193 (3)0.08638 (14)0.0459 (14)
H10A0.23500.00140.10820.069*
H10B0.23180.02480.06570.069*
H10C0.14820.02250.08060.069*
C11A0.5455 (3)0.3545 (3)0.16491 (11)0.0161 (8)
C12A0.5589 (3)0.4270 (3)0.18640 (11)0.0199 (9)
H12A0.53520.47940.17750.024*
C13A0.6072 (3)0.4214 (3)0.22093 (12)0.0234 (9)
H13A0.61730.47040.23550.028*
C14A0.6407 (3)0.3451 (3)0.23411 (12)0.0262 (10)
H14A0.67330.34180.25780.031*
C15A0.6268 (3)0.2730 (3)0.21281 (12)0.0243 (10)
H15A0.65010.22070.22200.029*
C16A0.5792 (3)0.2772 (3)0.17821 (11)0.0186 (8)
H16A0.56960.22800.16370.022*
C17A0.5473 (3)0.3531 (2)0.08322 (11)0.0149 (8)
C18A0.6195 (3)0.2976 (2)0.08366 (11)0.0178 (8)
H18A0.63900.26680.10520.021*
C19A0.6628 (3)0.2877 (3)0.05240 (11)0.0210 (9)
H19A0.71230.25000.05260.025*
C20A0.6343 (3)0.3325 (3)0.02067 (12)0.0208 (9)
H20A0.66340.32480.00090.025*
C21A0.5630 (3)0.3886 (3)0.02091 (11)0.0209 (9)
H21A0.54390.41980.00060.025*
C22A0.5195 (3)0.3997 (3)0.05184 (11)0.0185 (9)
H22A0.47110.43860.05180.022*
C23A0.0426 (3)0.4048 (2)0.15384 (11)0.0188 (9)
C24A0.1327 (3)0.3777 (3)0.14954 (12)0.0212 (9)
H24A0.15530.34670.12840.025*
C25A0.1885 (3)0.3964 (3)0.17613 (12)0.0258 (10)
H25A0.24950.37780.17350.031*
C26A0.1556 (3)0.4421 (3)0.20662 (12)0.0270 (10)
H26A0.19420.45520.22480.032*
C27A0.0666 (3)0.4688 (3)0.21077 (13)0.0313 (11)
H27A0.04430.49970.23190.038*
C28A0.0097 (3)0.4508 (3)0.18433 (12)0.0248 (10)
H28A0.05110.46980.18710.030*
C29A0.0268 (3)0.3951 (3)0.07624 (11)0.0177 (8)
C30A0.0771 (3)0.3355 (3)0.05568 (11)0.0211 (9)
H30A0.07860.27930.06430.025*
C31A0.1254 (3)0.3571 (3)0.02266 (12)0.0248 (10)
H31A0.15910.31550.00860.030*
C32A0.1249 (3)0.4385 (3)0.01004 (14)0.0380 (12)
H32A0.15900.45320.01240.046*
C33A0.0745 (4)0.4986 (3)0.03023 (17)0.0541 (18)
H33A0.07350.55470.02160.065*
C34A0.0255 (4)0.4770 (3)0.06313 (15)0.0431 (14)
H34A0.00930.51840.07680.052*
Ce1B0.650088 (13)0.982188 (14)0.118436 (5)0.01131 (5)
P1B0.43786 (7)0.86463 (6)0.11988 (3)0.0125 (2)
P2B0.88136 (7)0.86881 (6)0.11375 (3)0.0151 (2)
O1B0.73256 (18)0.97982 (18)0.18473 (7)0.0203 (6)
O2B0.6100 (2)1.05394 (19)0.17740 (8)0.0235 (7)
O3B0.6987 (2)1.06294 (18)0.22852 (8)0.0268 (7)
O4B0.73500 (19)1.07334 (17)0.07385 (8)0.0201 (6)
O5B0.7678 (2)1.10678 (18)0.13069 (8)0.0212 (6)
O6B0.8481 (2)1.1570 (2)0.08944 (10)0.0385 (9)
O7B0.54330 (19)1.04173 (16)0.05960 (7)0.0178 (6)
O8B0.55431 (18)1.11633 (16)0.10929 (7)0.0167 (6)
O9B0.4434 (2)1.13829 (19)0.06652 (8)0.0254 (7)
O10B0.6431 (2)0.87789 (19)0.06688 (8)0.0187 (6)
H10W0.674 (3)0.845 (3)0.0723 (14)0.029 (16)*
O11B0.49135 (18)0.94331 (16)0.11855 (7)0.0160 (6)
O12B0.79850 (18)0.91878 (16)0.11778 (7)0.0158 (6)
O13B0.69995 (18)0.79078 (17)0.17323 (7)0.0176 (6)
O14B0.70596 (19)0.65563 (17)0.07603 (8)0.0200 (6)
N1B0.6806 (2)1.0330 (2)0.19788 (9)0.0190 (8)
N2B0.7850 (2)1.1137 (2)0.09755 (10)0.0206 (8)
N3B0.5125 (2)1.0993 (2)0.07790 (9)0.0169 (7)
N4B0.6306 (2)0.8270 (2)0.14906 (9)0.0145 (7)
N5B0.4987 (2)0.7792 (2)0.11496 (9)0.0139 (7)
H5B0.479 (4)0.736 (3)0.1018 (15)0.048 (17)*
N6B0.7480 (2)0.7321 (2)0.08778 (9)0.0165 (7)
N7B0.8770 (2)0.7695 (2)0.12639 (10)0.0183 (8)
H7B0.912 (3)0.755 (3)0.1417 (13)0.023 (13)*
C1B0.6148 (3)0.8699 (3)0.02800 (11)0.0219 (9)
H1BA0.66880.86810.01450.026*
H1BB0.57860.91970.01950.026*
C2B0.5593 (3)0.7917 (3)0.01954 (12)0.0259 (10)
H2BA0.54410.78680.00700.039*
H2BB0.50360.79510.03150.039*
H2BC0.59410.74240.02860.039*
C3B0.5765 (3)0.7642 (2)0.13841 (10)0.0134 (8)
C4B0.6073 (3)0.6865 (3)0.15389 (11)0.0183 (8)
H4BA0.58040.63270.15030.022*
C5B0.6838 (3)0.7074 (3)0.17494 (11)0.0202 (9)
C6B0.7494 (3)0.6586 (3)0.20042 (13)0.0324 (11)
H6BA0.81110.67050.19490.049*
H6BB0.73700.59850.19730.049*
H6BC0.74290.67480.22580.049*
C7B0.8188 (3)0.7097 (2)0.10992 (11)0.0181 (8)
C8B0.8272 (3)0.6218 (3)0.11423 (13)0.0276 (10)
H8BA0.87250.59110.12880.033*
C9B0.7548 (3)0.5921 (3)0.09241 (14)0.0308 (11)
C10B0.7205 (4)0.5058 (3)0.08298 (18)0.0554 (18)
H10D0.71290.49900.05630.083*
H10E0.66220.49760.09260.083*
H10F0.76390.46420.09380.083*
C11B0.3510 (3)0.8569 (2)0.08228 (11)0.0150 (8)
C12B0.2739 (3)0.8067 (2)0.08315 (11)0.0163 (8)
H12B0.26430.77660.10470.020*
C13B0.2117 (3)0.8011 (3)0.05240 (11)0.0206 (9)
H13B0.15920.76740.05290.025*
C14B0.2261 (3)0.8448 (3)0.02075 (12)0.0206 (9)
H14B0.18320.84080.00030.025*
C15B0.3021 (3)0.8939 (3)0.01954 (11)0.0217 (9)
H15B0.31170.92300.00230.026*
C16B0.3645 (3)0.9008 (3)0.05024 (11)0.0176 (8)
H16B0.41640.93530.04960.021*
C17B0.3937 (2)0.8571 (2)0.16338 (10)0.0130 (8)
C18B0.3908 (3)0.9286 (3)0.18508 (11)0.0182 (9)
H18B0.41120.98090.17670.022*
C19B0.3581 (3)0.9233 (3)0.21900 (11)0.0204 (9)
H19B0.35530.97220.23360.024*
C20B0.3293 (3)0.8463 (3)0.23169 (11)0.0230 (9)
H20B0.30730.84270.25500.028*
C21B0.3331 (3)0.7749 (3)0.21013 (11)0.0229 (9)
H21B0.31370.72240.21880.027*
C22B0.3650 (3)0.7796 (3)0.17612 (11)0.0173 (8)
H22B0.36740.73060.16150.021*
C23B0.9073 (3)0.8692 (3)0.06684 (11)0.0186 (9)
C24B0.8850 (3)0.9384 (3)0.04515 (12)0.0297 (11)
H24B0.85390.98430.05460.036*
C25B0.9083 (4)0.9408 (4)0.00939 (13)0.0417 (14)
H25B0.89350.98870.00550.050*
C26B0.9527 (3)0.8740 (3)0.00455 (13)0.0351 (12)
H26B0.96890.87580.02890.042*
C27B0.9732 (3)0.8046 (3)0.01710 (12)0.0317 (11)
H27B1.00320.75840.00740.038*
C28B0.9510 (3)0.8006 (3)0.05264 (12)0.0229 (9)
H28B0.96510.75220.06720.027*
C29B0.9759 (3)0.9054 (2)0.14367 (11)0.0163 (8)
C30B1.0627 (3)0.8777 (3)0.13925 (12)0.0223 (9)
H30B1.07340.84420.11870.027*
C31B1.1338 (3)0.8995 (3)0.16526 (12)0.0242 (10)
H31B1.19330.88090.16250.029*
C32B1.1184 (3)0.9479 (3)0.19500 (12)0.0241 (9)
H32B1.16690.96140.21300.029*
C33B1.0316 (3)0.9773 (3)0.19876 (12)0.0236 (9)
H33B1.02141.01200.21890.028*
C34B0.9605 (3)0.9558 (3)0.17328 (11)0.0203 (9)
H34B0.90120.97540.17590.024*
O1S0.0719 (2)0.1775 (2)0.17235 (9)0.0271 (7)
H1S0.108 (4)0.154 (4)0.1574 (15)0.048 (18)*
C1S0.1070 (3)0.1835 (3)0.20704 (12)0.0326 (11)
H1SA0.12560.12730.21500.039*
H1SB0.16080.22060.20490.039*
C2S0.0361 (4)0.2183 (4)0.23430 (14)0.0432 (13)
H2SA0.06170.22890.25740.065*
H2SB0.01340.27110.22500.065*
H2SC0.01370.17810.23850.065*
O2S0.9991 (3)0.6876 (2)0.17914 (10)0.0361 (9)
H2S1.044 (4)0.680 (4)0.1683 (17)0.06 (2)*
C3S1.0337 (7)0.7285 (5)0.2130 (2)0.044 (2)0.70
H3SA1.07990.77030.20780.053*0.70
H3SB0.98380.75900.22300.053*0.70
C4S1.0733 (9)0.6700 (6)0.2403 (3)0.088 (4)0.70
H4SA1.09890.70100.26200.131*0.70
H4SB1.12130.63810.23020.131*0.70
H4SC1.02670.63130.24710.131*0.70
C3S'1.0253 (18)0.6785 (18)0.2187 (7)0.065 (7)*0.30
H3SC0.96950.67520.23110.078*0.30
H3SD1.05780.62460.22300.078*0.30
C4S'1.0783 (17)0.7410 (16)0.2347 (7)0.069 (7)*0.30
H4SD1.08960.73060.26110.104*0.30
H4SE1.04740.79500.23050.104*0.30
H4SF1.13590.74240.22410.104*0.30
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ce1A0.01315 (11)0.01008 (10)0.01141 (10)0.00028 (9)0.00146 (8)0.00101 (9)
P1A0.0127 (5)0.0124 (5)0.0165 (5)0.0011 (4)0.0025 (4)0.0003 (4)
P2A0.0127 (5)0.0117 (5)0.0195 (5)0.0000 (4)0.0019 (4)0.0021 (4)
O1A0.0303 (17)0.0208 (16)0.0164 (14)0.0020 (14)0.0064 (12)0.0007 (12)
O2A0.0273 (17)0.0289 (17)0.0158 (15)0.0066 (13)0.0020 (12)0.0036 (12)
O3A0.067 (3)0.0244 (17)0.0112 (15)0.0051 (17)0.0061 (15)0.0063 (12)
O4A0.0351 (18)0.0232 (17)0.0212 (16)0.0077 (14)0.0049 (14)0.0018 (13)
O5A0.0214 (16)0.0214 (16)0.0241 (17)0.0037 (13)0.0019 (13)0.0012 (12)
O6A0.047 (2)0.039 (2)0.063 (3)0.0267 (19)0.005 (2)0.0051 (19)
O7A0.0259 (16)0.0119 (14)0.0159 (14)0.0041 (12)0.0009 (12)0.0036 (11)
O8A0.0269 (16)0.0148 (14)0.0084 (13)0.0027 (12)0.0070 (11)0.0020 (10)
O9A0.0337 (18)0.0234 (16)0.0168 (15)0.0138 (14)0.0093 (13)0.0017 (12)
O10A0.0253 (17)0.0184 (16)0.0182 (15)0.0085 (14)0.0073 (12)0.0048 (12)
O11A0.0168 (15)0.0123 (14)0.0227 (15)0.0014 (11)0.0043 (12)0.0017 (11)
O12A0.0131 (14)0.0162 (15)0.0216 (15)0.0008 (11)0.0029 (11)0.0024 (11)
O13A0.0199 (15)0.0183 (15)0.0188 (15)0.0020 (12)0.0097 (12)0.0034 (11)
O14A0.0255 (16)0.0190 (15)0.0231 (16)0.0070 (13)0.0082 (13)0.0035 (12)
N1A0.036 (2)0.0185 (18)0.0122 (16)0.0072 (17)0.0026 (15)0.0017 (15)
N2A0.024 (2)0.0140 (18)0.034 (2)0.0034 (15)0.0020 (17)0.0037 (16)
N3A0.0231 (19)0.0095 (16)0.0165 (17)0.0011 (14)0.0031 (14)0.0014 (13)
N4A0.0165 (17)0.0161 (17)0.0128 (16)0.0011 (13)0.0039 (13)0.0033 (13)
N5A0.0205 (18)0.0102 (17)0.0160 (17)0.0005 (14)0.0073 (14)0.0018 (13)
N6A0.0190 (18)0.0132 (17)0.0227 (19)0.0031 (14)0.0055 (14)0.0037 (14)
N7A0.0183 (18)0.0139 (18)0.0206 (19)0.0029 (14)0.0075 (15)0.0016 (14)
C1A0.029 (3)0.027 (3)0.019 (3)0.008 (3)0.010 (2)0.009 (2)
C2A0.041 (4)0.034 (3)0.015 (3)0.003 (3)0.001 (2)0.004 (2)
C3A0.0133 (19)0.0108 (18)0.018 (2)0.0003 (15)0.0005 (15)0.0001 (15)
C4A0.023 (2)0.014 (2)0.017 (2)0.0015 (17)0.0004 (16)0.0033 (15)
C5A0.026 (2)0.015 (2)0.015 (2)0.0055 (17)0.0009 (17)0.0034 (15)
C6A0.050 (3)0.025 (3)0.023 (2)0.009 (2)0.017 (2)0.0050 (19)
C7A0.021 (2)0.0135 (19)0.015 (2)0.0011 (16)0.0022 (16)0.0000 (15)
C8A0.035 (3)0.014 (2)0.019 (2)0.0000 (18)0.0083 (18)0.0010 (16)
C9A0.041 (3)0.014 (2)0.019 (2)0.0058 (19)0.0057 (19)0.0034 (17)
C10A0.080 (4)0.024 (2)0.037 (3)0.024 (3)0.022 (3)0.003 (2)
C11A0.0134 (19)0.020 (2)0.016 (2)0.0002 (16)0.0057 (15)0.0004 (16)
C12A0.019 (2)0.020 (2)0.023 (2)0.0019 (17)0.0081 (17)0.0028 (17)
C13A0.023 (2)0.022 (2)0.026 (2)0.0031 (18)0.0080 (18)0.0087 (18)
C14A0.020 (2)0.041 (3)0.019 (2)0.001 (2)0.0033 (17)0.0007 (19)
C15A0.025 (2)0.026 (2)0.022 (2)0.0050 (19)0.0051 (18)0.0068 (18)
C16A0.015 (2)0.019 (2)0.021 (2)0.0015 (16)0.0033 (16)0.0009 (16)
C17A0.0098 (19)0.016 (2)0.019 (2)0.0008 (15)0.0034 (15)0.0021 (15)
C18A0.018 (2)0.016 (2)0.021 (2)0.0002 (16)0.0055 (16)0.0054 (16)
C19A0.017 (2)0.021 (2)0.025 (2)0.0066 (17)0.0055 (17)0.0017 (17)
C20A0.018 (2)0.024 (2)0.021 (2)0.0013 (18)0.0031 (17)0.0058 (17)
C21A0.023 (2)0.021 (2)0.018 (2)0.0017 (18)0.0035 (17)0.0015 (17)
C22A0.017 (2)0.017 (2)0.021 (2)0.0043 (17)0.0022 (16)0.0028 (16)
C23A0.019 (2)0.014 (2)0.025 (2)0.0019 (16)0.0075 (17)0.0022 (16)
C24A0.018 (2)0.024 (2)0.023 (2)0.0007 (17)0.0018 (17)0.0063 (17)
C25A0.017 (2)0.033 (3)0.028 (2)0.0005 (19)0.0078 (18)0.0018 (19)
C26A0.025 (2)0.028 (2)0.030 (3)0.005 (2)0.0110 (19)0.0068 (19)
C27A0.031 (3)0.037 (3)0.027 (2)0.004 (2)0.0034 (19)0.014 (2)
C28A0.015 (2)0.027 (2)0.032 (3)0.0018 (18)0.0024 (18)0.0110 (19)
C29A0.015 (2)0.018 (2)0.020 (2)0.0005 (16)0.0024 (16)0.0010 (16)
C30A0.021 (2)0.019 (2)0.024 (2)0.0005 (17)0.0059 (17)0.0030 (17)
C31A0.021 (2)0.033 (3)0.020 (2)0.0057 (19)0.0031 (17)0.0121 (19)
C32A0.033 (3)0.047 (3)0.031 (3)0.002 (2)0.009 (2)0.009 (2)
C33A0.067 (4)0.025 (3)0.061 (4)0.014 (3)0.034 (3)0.020 (2)
C34A0.051 (3)0.019 (2)0.053 (3)0.011 (2)0.025 (3)0.003 (2)
Ce1B0.01223 (11)0.00969 (10)0.01193 (10)0.00061 (9)0.00083 (8)0.00124 (9)
P1B0.0123 (5)0.0121 (5)0.0128 (5)0.0002 (4)0.0003 (4)0.0008 (4)
P2B0.0138 (5)0.0123 (5)0.0188 (5)0.0004 (4)0.0001 (4)0.0015 (4)
O1B0.0241 (15)0.0197 (14)0.0166 (14)0.0000 (13)0.0005 (11)0.0041 (12)
O2B0.0260 (17)0.0271 (16)0.0171 (15)0.0069 (13)0.0004 (13)0.0022 (12)
O3B0.046 (2)0.0219 (16)0.0115 (15)0.0044 (14)0.0003 (13)0.0039 (12)
O4B0.0201 (16)0.0187 (15)0.0210 (15)0.0025 (12)0.0001 (12)0.0037 (12)
O5B0.0246 (16)0.0189 (15)0.0200 (16)0.0050 (13)0.0017 (12)0.0000 (12)
O6B0.0305 (19)0.039 (2)0.045 (2)0.0193 (16)0.0022 (16)0.0156 (16)
O7B0.0235 (16)0.0143 (14)0.0157 (14)0.0028 (12)0.0027 (12)0.0030 (11)
O8B0.0198 (15)0.0142 (14)0.0149 (14)0.0037 (11)0.0033 (11)0.0013 (11)
O9B0.0250 (17)0.0257 (17)0.0241 (16)0.0124 (13)0.0045 (13)0.0016 (13)
O10B0.0228 (16)0.0157 (16)0.0163 (15)0.0060 (13)0.0039 (12)0.0033 (12)
O11B0.0160 (14)0.0127 (14)0.0188 (15)0.0001 (11)0.0000 (11)0.0007 (11)
O12B0.0148 (14)0.0151 (14)0.0170 (15)0.0013 (11)0.0012 (11)0.0014 (11)
O13B0.0190 (15)0.0152 (14)0.0171 (14)0.0014 (12)0.0048 (11)0.0027 (11)
O14B0.0217 (15)0.0152 (15)0.0219 (15)0.0032 (12)0.0023 (12)0.0052 (11)
N1B0.030 (2)0.0129 (18)0.0141 (17)0.0077 (14)0.0035 (14)0.0003 (13)
N2B0.0227 (19)0.0140 (18)0.025 (2)0.0023 (15)0.0029 (15)0.0037 (14)
N3B0.0222 (19)0.0113 (16)0.0172 (17)0.0017 (14)0.0026 (14)0.0009 (13)
N4B0.0121 (16)0.0155 (17)0.0149 (17)0.0001 (13)0.0037 (13)0.0030 (13)
N5B0.0153 (17)0.0106 (16)0.0153 (17)0.0021 (13)0.0002 (13)0.0023 (13)
N6B0.0173 (17)0.0113 (17)0.0201 (18)0.0036 (13)0.0016 (14)0.0046 (13)
N7B0.0153 (18)0.0169 (18)0.0211 (19)0.0027 (14)0.0054 (15)0.0011 (14)
C1B0.030 (2)0.019 (2)0.017 (2)0.0014 (18)0.0015 (18)0.0034 (16)
C2B0.034 (3)0.025 (2)0.018 (2)0.007 (2)0.0037 (19)0.0027 (17)
C3B0.0146 (19)0.0131 (19)0.0130 (19)0.0006 (15)0.0044 (15)0.0010 (14)
C4B0.023 (2)0.015 (2)0.017 (2)0.0034 (17)0.0029 (16)0.0027 (15)
C5B0.030 (2)0.014 (2)0.016 (2)0.0010 (18)0.0009 (17)0.0054 (16)
C6B0.038 (3)0.022 (2)0.034 (3)0.005 (2)0.014 (2)0.009 (2)
C7B0.019 (2)0.013 (2)0.022 (2)0.0026 (16)0.0035 (17)0.0021 (16)
C8B0.030 (3)0.016 (2)0.035 (3)0.0001 (19)0.008 (2)0.0002 (19)
C9B0.031 (3)0.017 (2)0.042 (3)0.001 (2)0.008 (2)0.002 (2)
C10B0.057 (4)0.016 (3)0.085 (5)0.009 (2)0.029 (3)0.003 (3)
C11B0.0121 (19)0.016 (2)0.017 (2)0.0011 (16)0.0009 (15)0.0041 (15)
C12B0.018 (2)0.014 (2)0.016 (2)0.0005 (16)0.0041 (16)0.0001 (15)
C13B0.016 (2)0.020 (2)0.024 (2)0.0029 (17)0.0041 (17)0.0066 (17)
C14B0.018 (2)0.020 (2)0.022 (2)0.0039 (17)0.0057 (17)0.0061 (17)
C15B0.029 (2)0.021 (2)0.014 (2)0.0013 (19)0.0006 (17)0.0024 (16)
C16B0.017 (2)0.018 (2)0.017 (2)0.0014 (17)0.0003 (16)0.0010 (16)
C17B0.0098 (18)0.018 (2)0.0106 (18)0.0012 (15)0.0010 (14)0.0008 (15)
C18B0.013 (2)0.020 (2)0.020 (2)0.0015 (16)0.0011 (16)0.0046 (16)
C19B0.016 (2)0.023 (2)0.022 (2)0.0042 (17)0.0010 (17)0.0067 (17)
C20B0.024 (2)0.034 (3)0.012 (2)0.0024 (19)0.0048 (17)0.0014 (17)
C21B0.026 (2)0.020 (2)0.022 (2)0.0000 (18)0.0037 (18)0.0050 (17)
C22B0.017 (2)0.018 (2)0.017 (2)0.0011 (16)0.0018 (16)0.0030 (16)
C23B0.014 (2)0.021 (2)0.021 (2)0.0010 (17)0.0006 (16)0.0016 (17)
C24B0.038 (3)0.030 (3)0.022 (2)0.009 (2)0.007 (2)0.0032 (19)
C25B0.052 (3)0.050 (3)0.024 (3)0.016 (3)0.012 (2)0.015 (2)
C26B0.026 (3)0.060 (4)0.021 (2)0.005 (2)0.0069 (19)0.001 (2)
C27B0.019 (2)0.050 (3)0.025 (3)0.005 (2)0.0027 (19)0.016 (2)
C28B0.018 (2)0.027 (2)0.023 (2)0.0048 (18)0.0019 (17)0.0045 (18)
C29B0.016 (2)0.0141 (19)0.018 (2)0.0028 (16)0.0023 (16)0.0008 (15)
C30B0.019 (2)0.023 (2)0.024 (2)0.0017 (18)0.0016 (17)0.0058 (18)
C31B0.014 (2)0.021 (2)0.036 (3)0.0012 (18)0.0003 (18)0.0035 (19)
C32B0.021 (2)0.022 (2)0.027 (2)0.0065 (18)0.0072 (18)0.0009 (18)
C33B0.024 (2)0.021 (2)0.026 (2)0.0006 (19)0.0019 (17)0.0039 (19)
C34B0.015 (2)0.023 (2)0.024 (2)0.0001 (17)0.0026 (17)0.0015 (17)
O1S0.0282 (18)0.0293 (18)0.0246 (18)0.0076 (15)0.0064 (14)0.0002 (14)
C1S0.032 (3)0.041 (3)0.027 (3)0.000 (2)0.011 (2)0.004 (2)
C2S0.044 (3)0.057 (4)0.029 (3)0.007 (3)0.004 (2)0.007 (2)
O2S0.034 (2)0.044 (2)0.030 (2)0.0077 (17)0.0017 (16)0.0040 (16)
C3S0.078 (6)0.033 (5)0.020 (4)0.007 (4)0.003 (4)0.003 (3)
C4S0.129 (10)0.051 (6)0.067 (7)0.022 (6)0.067 (7)0.008 (5)
Geometric parameters (Å, º) top
Ce1A—O11A2.441 (3)Ce1B—O7B2.713 (3)
Ce1A—O12A2.450 (3)Ce1B—N4B2.744 (3)
Ce1A—O10A2.514 (3)Ce1B—N1B3.016 (3)
Ce1A—O2A2.549 (3)P1B—O11B1.489 (3)
Ce1A—O8A2.583 (3)P1B—N5B1.655 (3)
Ce1A—O1A2.593 (3)P1B—C11B1.792 (4)
Ce1A—O5A2.599 (3)P1B—C17B1.795 (4)
Ce1A—O4A2.651 (3)P2B—O12B1.488 (3)
Ce1A—O7A2.710 (3)P2B—N7B1.653 (4)
Ce1A—N4A2.712 (3)P2B—C29B1.788 (4)
Ce1A—N1A2.988 (3)P2B—C23B1.806 (4)
P1A—O11A1.498 (3)O1B—N1B1.276 (4)
P1A—N5A1.655 (3)O2B—N1B1.270 (4)
P1A—C17A1.793 (4)O3B—N1B1.225 (4)
P1A—C11A1.800 (4)O4B—N2B1.259 (4)
P2A—O12A1.492 (3)O5B—N2B1.275 (4)
P2A—N7A1.651 (4)O6B—N2B1.228 (4)
P2A—C23A1.788 (4)O7B—N3B1.253 (4)
P2A—C29A1.792 (4)O8B—N3B1.279 (4)
O1A—N1A1.260 (4)O9B—N3B1.235 (4)
O2A—N1A1.269 (4)O10B—C1B1.451 (5)
O3A—N1A1.227 (4)O10B—H10W0.71 (5)
O4A—N2A1.272 (5)O13B—C5B1.352 (5)
O5A—N2A1.256 (5)O13B—N4B1.411 (4)
O6A—N2A1.227 (5)O14B—C9B1.350 (5)
O7A—N3A1.266 (4)O14B—N6B1.416 (4)
O8A—N3A1.265 (4)N4B—C3B1.317 (5)
O9A—N3A1.235 (4)N5B—C3B1.388 (5)
O10A—C1'A1.38 (3)N5B—H5B0.87 (5)
O10A—C1A1.450 (6)N6B—C7B1.310 (5)
O10A—H10V0.73 (6)N7B—C7B1.382 (5)
O13A—C5A1.351 (5)N7B—H7B0.76 (5)
O13A—N4A1.415 (4)C1B—C2B1.508 (6)
O14A—C9A1.360 (5)C1B—H1BA0.9900
O14A—N6A1.417 (4)C1B—H1BB0.9900
N4A—C3A1.310 (5)C2B—H2BA0.9800
N5A—C3A1.393 (5)C2B—H2BB0.9800
N5A—H5A0.80 (5)C2B—H2BC0.9800
N6A—C7A1.307 (5)C3B—C4B1.418 (5)
N7A—C7A1.397 (5)C4B—C5B1.348 (6)
N7A—H7A0.80 (4)C4B—H4BA0.9500
C1A—C2A1.482 (7)C5B—C6B1.497 (6)
C1A—H1AA0.9900C6B—H6BA0.9800
C1A—H1AB0.9900C6B—H6BB0.9800
C2A—H2AA0.9800C6B—H6BC0.9800
C2A—H2AB0.9800C7B—C8B1.413 (6)
C2A—H2AC0.9800C8B—C9B1.358 (6)
C1'A—C2'A1.55 (4)C8B—H8BA0.9500
C1'A—H1'A0.9900C9B—C10B1.495 (6)
C1'A—H1'B0.9900C10B—H10D0.9800
C2'A—H2'A0.9800C10B—H10E0.9800
C2'A—H2'B0.9800C10B—H10F0.9800
C2'A—H2'C0.9800C11B—C16B1.402 (5)
C3A—C4A1.403 (5)C11B—C12B1.403 (5)
C4A—C5A1.355 (6)C12B—C13B1.384 (5)
C4A—H4AA0.9500C12B—H12B0.9500
C5A—C6A1.467 (6)C13B—C14B1.391 (6)
C6A—H6AA0.9800C13B—H13B0.9500
C6A—H6AB0.9800C14B—C15B1.380 (6)
C6A—H6AC0.9800C14B—H14B0.9500
C7A—C8A1.410 (5)C15B—C16B1.386 (5)
C8A—C9A1.345 (6)C15B—H15B0.9500
C8A—H8AA0.9500C16B—H16B0.9500
C9A—C10A1.490 (6)C17B—C18B1.393 (5)
C10A—H10A0.9800C17B—C22B1.404 (5)
C10A—H10B0.9800C18B—C19B1.388 (6)
C10A—H10C0.9800C18B—H18B0.9500
C11A—C16A1.399 (6)C19B—C20B1.395 (6)
C11A—C12A1.401 (5)C19B—H19B0.9500
C12A—C13A1.393 (6)C20B—C21B1.391 (6)
C12A—H12A0.9500C20B—H20B0.9500
C13A—C14A1.381 (6)C21B—C22B1.385 (6)
C13A—H13A0.9500C21B—H21B0.9500
C14A—C15A1.393 (6)C22B—H22B0.9500
C14A—H14A0.9500C23B—C24B1.379 (6)
C15A—C16A1.389 (6)C23B—C28B1.400 (6)
C15A—H15A0.9500C24B—C25B1.394 (6)
C16A—H16A0.9500C24B—H24B0.9500
C17A—C18A1.390 (5)C25B—C26B1.380 (7)
C17A—C22A1.396 (6)C25B—H25B0.9500
C18A—C19A1.384 (6)C26B—C27B1.377 (7)
C18A—H18A0.9500C26B—H26B0.9500
C19A—C20A1.393 (6)C27B—C28B1.382 (6)
C19A—H19A0.9500C27B—H27B0.9500
C20A—C21A1.388 (6)C28B—H28B0.9500
C20A—H20A0.9500C29B—C30B1.391 (6)
C21A—C22A1.377 (6)C29B—C34B1.391 (6)
C21A—H21A0.9500C30B—C31B1.392 (6)
C22A—H22A0.9500C30B—H30B0.9500
C23A—C28A1.383 (6)C31B—C32B1.376 (6)
C23A—C24A1.401 (6)C31B—H31B0.9500
C24A—C25A1.379 (6)C32B—C33B1.394 (6)
C24A—H24A0.9500C32B—H32B0.9500
C25A—C26A1.380 (6)C33B—C34B1.378 (6)
C25A—H25A0.9500C33B—H33B0.9500
C26A—C27A1.384 (6)C34B—H34B0.9500
C26A—H26A0.9500O1S—C1S1.432 (5)
C27A—C28A1.384 (6)O1S—H1S0.82 (6)
C27A—H27A0.9500C1S—C2S1.483 (7)
C28A—H28A0.9500C1S—H1SA0.9900
C29A—C30A1.383 (6)C1S—H1SB0.9900
C29A—C34A1.391 (6)C2S—H2SA0.9800
C30A—C31A1.385 (6)C2S—H2SB0.9800
C30A—H30A0.9500C2S—H2SC0.9800
C31A—C32A1.378 (7)O2S—C3S1.449 (8)
C31A—H31A0.9500O2S—C3S'1.47 (3)
C32A—C33A1.382 (7)O2S—H2S0.83 (6)
C32A—H32A0.9500C3S—C4S1.447 (11)
C33A—C34A1.387 (7)C3S—H3SA0.9900
C33A—H33A0.9500C3S—H3SB0.9900
C34A—H34A0.9500C4S—H4SA0.9800
Ce1B—O12B2.431 (3)C4S—H4SB0.9800
Ce1B—O11B2.443 (3)C4S—H4SC0.9800
Ce1B—O10B2.513 (3)C3S'—C4S'1.36 (3)
Ce1B—O8B2.571 (3)C3S'—H3SC0.9900
Ce1B—O2B2.574 (3)C3S'—H3SD0.9900
Ce1B—O1B2.607 (3)C4S'—H4SD0.9800
Ce1B—O4B2.613 (3)C4S'—H4SE0.9800
Ce1B—O5B2.654 (3)C4S'—H4SF0.9800
O11A—Ce1A—O12A139.65 (9)O8B—Ce1B—O1B109.46 (9)
O11A—Ce1A—O10A82.09 (10)O2B—Ce1B—O1B49.38 (9)
O12A—Ce1A—O10A71.31 (9)O12B—Ce1B—O4B73.99 (9)
O11A—Ce1A—O2A77.65 (9)O11B—Ce1B—O4B132.41 (9)
O12A—Ce1A—O2A120.53 (9)O10B—Ce1B—O4B83.07 (9)
O10A—Ce1A—O2A158.06 (10)O8B—Ce1B—O4B75.79 (9)
O11A—Ce1A—O8A72.19 (9)O2B—Ce1B—O4B116.82 (9)
O12A—Ce1A—O8A147.07 (9)O1B—Ce1B—O4B112.48 (9)
O10A—Ce1A—O8A116.45 (9)O12B—Ce1B—O5B74.27 (9)
O2A—Ce1A—O8A64.95 (9)O11B—Ce1B—O5B144.12 (9)
O11A—Ce1A—O1A110.19 (9)O10B—Ce1B—O5B126.59 (10)
O12A—Ce1A—O1A71.63 (9)O8B—Ce1B—O5B75.33 (9)
O10A—Ce1A—O1A133.45 (10)O2B—Ce1B—O5B74.51 (9)
O2A—Ce1A—O1A49.55 (9)O1B—Ce1B—O5B67.43 (9)
O8A—Ce1A—O1A110.00 (8)O4B—Ce1B—O5B48.40 (9)
O11A—Ce1A—O5A131.46 (9)O12B—Ce1B—O7B126.36 (9)
O12A—Ce1A—O5A77.32 (9)O11B—Ce1B—O7B66.78 (9)
O10A—Ce1A—O5A86.04 (10)O10B—Ce1B—O7B69.96 (9)
O2A—Ce1A—O5A113.79 (9)O8B—Ce1B—O7B48.39 (8)
O8A—Ce1A—O5A71.68 (9)O2B—Ce1B—O7B110.25 (9)
O1A—Ce1A—O5A111.95 (9)O1B—Ce1B—O7B157.83 (8)
O11A—Ce1A—O4A142.48 (9)O4B—Ce1B—O7B65.67 (9)
O12A—Ce1A—O4A76.62 (9)O5B—Ce1B—O7B101.14 (9)
O10A—Ce1A—O4A129.36 (10)O12B—Ce1B—N4B76.43 (9)
O2A—Ce1A—O4A72.58 (10)O11B—Ce1B—N4B68.07 (9)
O8A—Ce1A—O4A74.77 (9)O10B—Ce1B—N4B73.47 (10)
O1A—Ce1A—O4A65.64 (9)O8B—Ce1B—N4B136.15 (9)
O5A—Ce1A—O4A48.79 (9)O2B—Ce1B—N4B90.64 (10)
O11A—Ce1A—O7A66.82 (9)O1B—Ce1B—N4B70.36 (9)
O12A—Ce1A—O7A125.40 (9)O4B—Ce1B—N4B146.80 (9)
O10A—Ce1A—O7A68.12 (9)O5B—Ce1B—N4B134.51 (9)
O2A—Ce1A—O7A110.52 (9)O7B—Ce1B—N4B124.27 (9)
O8A—Ce1A—O7A48.39 (8)O12B—Ce1B—N1B94.47 (9)
O1A—Ce1A—O7A158.39 (9)O11B—Ce1B—N1B96.45 (9)
O5A—Ce1A—O7A65.07 (9)O10B—Ce1B—N1B153.70 (9)
O4A—Ce1A—O7A102.97 (9)O8B—Ce1B—N1B85.83 (9)
O11A—Ce1A—N4A68.17 (9)O2B—Ce1B—N1B24.67 (9)
O12A—Ce1A—N4A75.72 (9)O1B—Ce1B—N1B24.90 (9)
O10A—Ce1A—N4A74.67 (10)O4B—Ce1B—N1B115.09 (9)
O2A—Ce1A—N4A89.90 (10)O5B—Ce1B—N1B66.82 (9)
O8A—Ce1A—N4A136.73 (9)O7B—Ce1B—N1B133.76 (9)
O1A—Ce1A—N4A69.70 (9)N4B—Ce1B—N1B81.77 (9)
O5A—Ce1A—N4A150.71 (9)O11B—P1B—N5B112.82 (16)
O4A—Ce1A—N4A132.82 (9)O11B—P1B—C11B112.14 (17)
O7A—Ce1A—N4A124.20 (9)N5B—P1B—C11B102.55 (17)
O11A—Ce1A—N1A95.90 (9)O11B—P1B—C17B109.45 (17)
O12A—Ce1A—N1A95.68 (10)N5B—P1B—C17B107.40 (18)
O10A—Ce1A—N1A154.55 (10)C11B—P1B—C17B112.27 (18)
O2A—Ce1A—N1A24.92 (9)O12B—P2B—N7B115.23 (17)
O8A—Ce1A—N1A86.54 (9)O12B—P2B—C29B111.74 (17)
O1A—Ce1A—N1A24.83 (9)N7B—P2B—C29B101.03 (18)
O5A—Ce1A—N1A113.03 (9)O12B—P2B—C23B110.94 (17)
O4A—Ce1A—N1A64.63 (9)N7B—P2B—C23B106.88 (19)
O7A—Ce1A—N1A134.31 (9)C29B—P2B—C23B110.53 (19)
N4A—Ce1A—N1A81.01 (10)N1B—O1B—Ce1B95.8 (2)
O11A—P1A—N5A112.36 (17)N1B—O2B—Ce1B97.5 (2)
O11A—P1A—C17A112.12 (17)N2B—O4B—Ce1B98.0 (2)
N5A—P1A—C17A102.06 (18)N2B—O5B—Ce1B95.7 (2)
O11A—P1A—C11A109.80 (18)N3B—O7B—Ce1B92.6 (2)
N5A—P1A—C11A106.78 (18)N3B—O8B—Ce1B98.7 (2)
C17A—P1A—C11A113.43 (18)C1B—O10B—Ce1B141.7 (2)
O12A—P2A—N7A115.42 (17)C1B—O10B—H10W109 (4)
O12A—P2A—C23A113.13 (18)Ce1B—O10B—H10W107 (4)
N7A—P2A—C23A100.66 (19)P1B—O11B—Ce1B137.24 (16)
O12A—P2A—C29A111.20 (18)P2B—O12B—Ce1B170.54 (17)
N7A—P2A—C29A108.09 (19)C5B—O13B—N4B108.0 (3)
C23A—P2A—C29A107.61 (19)C9B—O14B—N6B108.1 (3)
N1A—O1A—Ce1A95.4 (2)O3B—N1B—O2B121.9 (4)
N1A—O2A—Ce1A97.3 (2)O3B—N1B—O1B121.6 (3)
N2A—O4A—Ce1A95.0 (2)O2B—N1B—O1B116.5 (3)
N2A—O5A—Ce1A97.9 (2)O3B—N1B—Ce1B171.4 (3)
N3A—O7A—Ce1A93.0 (2)O2B—N1B—Ce1B57.82 (18)
N3A—O8A—Ce1A99.1 (2)O1B—N1B—Ce1B59.34 (18)
C1'A—O10A—C1A31.5 (12)O6B—N2B—O4B122.0 (4)
C1'A—O10A—Ce1A143.4 (12)O6B—N2B—O5B121.1 (4)
C1A—O10A—Ce1A138.3 (3)O4B—N2B—O5B116.9 (3)
C1'A—O10A—H10V102 (5)O9B—N3B—O7B121.7 (3)
C1A—O10A—H10V107 (5)O9B—N3B—O8B120.4 (3)
Ce1A—O10A—H10V111 (5)O7B—N3B—O8B117.9 (3)
P1A—O11A—Ce1A137.63 (16)C3B—N4B—O13B105.0 (3)
P2A—O12A—Ce1A171.02 (17)C3B—N4B—Ce1B130.6 (2)
C5A—O13A—N4A108.7 (3)O13B—N4B—Ce1B121.7 (2)
C9A—O14A—N6A107.8 (3)C3B—N5B—P1B120.3 (3)
O3A—N1A—O1A121.9 (4)C3B—N5B—H5B114 (4)
O3A—N1A—O2A121.3 (4)P1B—N5B—H5B124 (4)
O1A—N1A—O2A116.8 (3)C7B—N6B—O14B104.7 (3)
O3A—N1A—Ce1A170.8 (3)C7B—N7B—P2B125.4 (3)
O1A—N1A—Ce1A59.74 (17)C7B—N7B—H7B117 (4)
O2A—N1A—Ce1A57.78 (18)P2B—N7B—H7B117 (4)
O6A—N2A—O5A121.4 (4)O10B—C1B—C2B111.7 (3)
O6A—N2A—O4A120.4 (4)O10B—C1B—H1BA109.3
O5A—N2A—O4A118.2 (3)C2B—C1B—H1BA109.3
O9A—N3A—O8A121.2 (3)O10B—C1B—H1BB109.3
O9A—N3A—O7A120.6 (3)C2B—C1B—H1BB109.3
O8A—N3A—O7A118.2 (3)H1BA—C1B—H1BB107.9
C3A—N4A—O13A104.7 (3)C1B—C2B—H2BA109.5
C3A—N4A—Ce1A132.3 (2)C1B—C2B—H2BB109.5
O13A—N4A—Ce1A119.0 (2)H2BA—C2B—H2BB109.5
C3A—N5A—P1A120.5 (3)C1B—C2B—H2BC109.5
C3A—N5A—H5A120 (3)H2BA—C2B—H2BC109.5
P1A—N5A—H5A118 (3)H2BB—C2B—H2BC109.5
C7A—N6A—O14A105.0 (3)N4B—C3B—N5B119.7 (3)
C7A—N7A—P2A125.9 (3)N4B—C3B—C4B112.6 (3)
C7A—N7A—H7A117 (3)N5B—C3B—C4B127.7 (3)
P2A—N7A—H7A117 (3)C5B—C4B—C3B103.3 (4)
O10A—C1A—C2A113.6 (5)C5B—C4B—H4BA128.3
O10A—C1A—H1AA108.9C3B—C4B—H4BA128.3
C2A—C1A—H1AA108.9C4B—C5B—O13B111.1 (3)
O10A—C1A—H1AB108.9C4B—C5B—C6B133.2 (4)
C2A—C1A—H1AB108.9O13B—C5B—C6B115.6 (4)
H1AA—C1A—H1AB107.7C5B—C6B—H6BA109.5
O10A—C1'A—C2'A108 (2)C5B—C6B—H6BB109.5
O10A—C1'A—H1'A110.0H6BA—C6B—H6BB109.5
C2'A—C1'A—H1'A110.0C5B—C6B—H6BC109.5
O10A—C1'A—H1'B110.0H6BA—C6B—H6BC109.5
C2'A—C1'A—H1'B110.0H6BB—C6B—H6BC109.5
H1'A—C1'A—H1'B108.4N6B—C7B—N7B120.5 (4)
C1'A—C2'A—H2'A109.5N6B—C7B—C8B113.3 (4)
C1'A—C2'A—H2'B109.5N7B—C7B—C8B126.1 (4)
H2'A—C2'A—H2'B109.5C9B—C8B—C7B103.0 (4)
C1'A—C2'A—H2'C109.5C9B—C8B—H8BA128.5
H2'A—C2'A—H2'C109.5C7B—C8B—H8BA128.5
H2'B—C2'A—H2'C109.5O14B—C9B—C8B110.9 (4)
N4A—C3A—N5A119.4 (3)O14B—C9B—C10B115.6 (4)
N4A—C3A—C4A112.6 (3)C8B—C9B—C10B133.5 (4)
N5A—C3A—C4A128.0 (4)C9B—C10B—H10D109.5
C5A—C4A—C3A104.5 (4)C9B—C10B—H10E109.5
C5A—C4A—H4AA127.8H10D—C10B—H10E109.5
C3A—C4A—H4AA127.8C9B—C10B—H10F109.5
O13A—C5A—C4A109.4 (3)H10D—C10B—H10F109.5
O13A—C5A—C6A116.3 (4)H10E—C10B—H10F109.5
C4A—C5A—C6A134.3 (4)C16B—C11B—C12B119.7 (4)
C5A—C6A—H6AA109.5C16B—C11B—P1B117.2 (3)
C5A—C6A—H6AB109.5C12B—C11B—P1B123.1 (3)
H6AA—C6A—H6AB109.5C13B—C12B—C11B119.7 (4)
C5A—C6A—H6AC109.5C13B—C12B—H12B120.2
H6AA—C6A—H6AC109.5C11B—C12B—H12B120.2
H6AB—C6A—H6AC109.5C12B—C13B—C14B120.0 (4)
N6A—C7A—N7A120.2 (4)C12B—C13B—H13B120.0
N6A—C7A—C8A112.8 (4)C14B—C13B—H13B120.0
N7A—C7A—C8A127.0 (4)C15B—C14B—C13B120.7 (4)
C9A—C8A—C7A104.0 (4)C15B—C14B—H14B119.6
C9A—C8A—H8AA128.0C13B—C14B—H14B119.6
C7A—C8A—H8AA128.0C14B—C15B—C16B119.9 (4)
C8A—C9A—O14A110.4 (4)C14B—C15B—H15B120.0
C8A—C9A—C10A134.3 (4)C16B—C15B—H15B120.0
O14A—C9A—C10A115.2 (4)C15B—C16B—C11B120.0 (4)
C9A—C10A—H10A109.5C15B—C16B—H16B120.0
C9A—C10A—H10B109.5C11B—C16B—H16B120.0
H10A—C10A—H10B109.5C18B—C17B—C22B119.9 (4)
C9A—C10A—H10C109.5C18B—C17B—P1B119.4 (3)
H10A—C10A—H10C109.5C22B—C17B—P1B120.6 (3)
H10B—C10A—H10C109.5C19B—C18B—C17B120.0 (4)
C16A—C11A—C12A120.4 (4)C19B—C18B—H18B120.0
C16A—C11A—P1A120.8 (3)C17B—C18B—H18B120.0
C12A—C11A—P1A118.7 (3)C18B—C19B—C20B120.2 (4)
C13A—C12A—C11A119.2 (4)C18B—C19B—H19B119.9
C13A—C12A—H12A120.4C20B—C19B—H19B119.9
C11A—C12A—H12A120.4C21B—C20B—C19B119.8 (4)
C14A—C13A—C12A120.5 (4)C21B—C20B—H20B120.1
C14A—C13A—H13A119.7C19B—C20B—H20B120.1
C12A—C13A—H13A119.7C22B—C21B—C20B120.5 (4)
C13A—C14A—C15A120.2 (4)C22B—C21B—H21B119.7
C13A—C14A—H14A119.9C20B—C21B—H21B119.7
C15A—C14A—H14A119.9C21B—C22B—C17B119.6 (4)
C16A—C15A—C14A120.3 (4)C21B—C22B—H22B120.2
C16A—C15A—H15A119.8C17B—C22B—H22B120.2
C14A—C15A—H15A119.8C24B—C23B—C28B120.1 (4)
C15A—C16A—C11A119.4 (4)C24B—C23B—P2B119.4 (3)
C15A—C16A—H16A120.3C28B—C23B—P2B120.5 (3)
C11A—C16A—H16A120.3C23B—C24B—C25B119.8 (4)
C18A—C17A—C22A120.5 (4)C23B—C24B—H24B120.1
C18A—C17A—P1A122.4 (3)C25B—C24B—H24B120.1
C22A—C17A—P1A116.9 (3)C26B—C25B—C24B120.4 (5)
C19A—C18A—C17A119.4 (4)C26B—C25B—H25B119.8
C19A—C18A—H18A120.3C24B—C25B—H25B119.8
C17A—C18A—H18A120.3C27B—C26B—C25B119.4 (4)
C18A—C19A—C20A120.6 (4)C27B—C26B—H26B120.3
C18A—C19A—H19A119.7C25B—C26B—H26B120.3
C20A—C19A—H19A119.7C26B—C27B—C28B121.4 (4)
C21A—C20A—C19A119.3 (4)C26B—C27B—H27B119.3
C21A—C20A—H20A120.4C28B—C27B—H27B119.3
C19A—C20A—H20A120.4C27B—C28B—C23B118.9 (4)
C22A—C21A—C20A121.0 (4)C27B—C28B—H28B120.5
C22A—C21A—H21A119.5C23B—C28B—H28B120.5
C20A—C21A—H21A119.5C30B—C29B—C34B120.5 (4)
C21A—C22A—C17A119.3 (4)C30B—C29B—P2B120.3 (3)
C21A—C22A—H22A120.4C34B—C29B—P2B118.9 (3)
C17A—C22A—H22A120.4C29B—C30B—C31B119.2 (4)
C28A—C23A—C24A120.4 (4)C29B—C30B—H30B120.4
C28A—C23A—P2A120.5 (3)C31B—C30B—H30B120.4
C24A—C23A—P2A119.0 (3)C32B—C31B—C30B120.4 (4)
C25A—C24A—C23A119.6 (4)C32B—C31B—H31B119.8
C25A—C24A—H24A120.2C30B—C31B—H31B119.8
C23A—C24A—H24A120.2C31B—C32B—C33B120.1 (4)
C24A—C25A—C26A120.0 (4)C31B—C32B—H32B120.0
C24A—C25A—H25A120.0C33B—C32B—H32B120.0
C26A—C25A—H25A120.0C34B—C33B—C32B120.1 (4)
C25A—C26A—C27A120.2 (4)C34B—C33B—H33B119.9
C25A—C26A—H26A119.9C32B—C33B—H33B119.9
C27A—C26A—H26A119.9C33B—C34B—C29B119.7 (4)
C28A—C27A—C26A120.6 (4)C33B—C34B—H34B120.2
C28A—C27A—H27A119.7C29B—C34B—H34B120.2
C26A—C27A—H27A119.7C1S—O1S—H1S110 (4)
C23A—C28A—C27A119.2 (4)O1S—C1S—C2S108.9 (4)
C23A—C28A—H28A120.4O1S—C1S—H1SA109.9
C27A—C28A—H28A120.4C2S—C1S—H1SA109.9
C30A—C29A—C34A118.8 (4)O1S—C1S—H1SB109.9
C30A—C29A—P2A123.2 (3)C2S—C1S—H1SB109.9
C34A—C29A—P2A117.8 (3)H1SA—C1S—H1SB108.3
C29A—C30A—C31A120.5 (4)C1S—C2S—H2SA109.5
C29A—C30A—H30A119.8C1S—C2S—H2SB109.5
C31A—C30A—H30A119.8H2SA—C2S—H2SB109.5
C32A—C31A—C30A120.5 (4)C1S—C2S—H2SC109.5
C32A—C31A—H31A119.8H2SA—C2S—H2SC109.5
C30A—C31A—H31A119.8H2SB—C2S—H2SC109.5
C31A—C32A—C33A119.6 (4)C3S—O2S—C3S'33.3 (10)
C31A—C32A—H32A120.2C3S—O2S—H2S104 (4)
C33A—C32A—H32A120.2C3S'—O2S—H2S108 (4)
C32A—C33A—C34A120.0 (5)C4S—C3S—O2S112.7 (7)
C32A—C33A—H33A120.0C4S—C3S—H3SA109.1
C34A—C33A—H33A120.0O2S—C3S—H3SA109.1
C33A—C34A—C29A120.6 (4)C4S—C3S—H3SB109.1
C33A—C34A—H34A119.7O2S—C3S—H3SB109.1
C29A—C34A—H34A119.7H3SA—C3S—H3SB107.8
O12B—Ce1B—O11B140.75 (9)C4S'—C3S'—O2S116 (2)
O12B—Ce1B—O10B71.49 (9)C4S'—C3S'—H3SC108.3
O11B—Ce1B—O10B82.60 (9)O2S—C3S'—H3SC108.3
O12B—Ce1B—O8B146.69 (9)C4S'—C3S'—H3SD108.3
O11B—Ce1B—O8B71.84 (9)O2S—C3S'—H3SD108.3
O10B—Ce1B—O8B118.25 (9)H3SC—C3S'—H3SD107.4
O12B—Ce1B—O2B119.01 (9)C3S'—C4S'—H4SD109.5
O11B—Ce1B—O2B78.48 (9)C3S'—C4S'—H4SE109.5
O10B—Ce1B—O2B158.86 (10)H4SD—C4S'—H4SE109.5
O8B—Ce1B—O2B64.27 (9)C3S'—C4S'—H4SF109.5
O12B—Ce1B—O1B70.47 (9)H4SD—C4S'—H4SF109.5
O11B—Ce1B—O1B110.71 (9)H4SE—C4S'—H4SF109.5
O10B—Ce1B—O1B132.19 (10)
O11A—Ce1A—O1A—N1A57.7 (2)C30A—C31A—C32A—C33A1.2 (8)
O12A—Ce1A—O1A—N1A165.1 (2)C31A—C32A—C33A—C34A0.6 (9)
O10A—Ce1A—O1A—N1A156.1 (2)C32A—C33A—C34A—C29A0.4 (10)
O2A—Ce1A—O1A—N1A5.5 (2)C30A—C29A—C34A—C33A0.7 (8)
O8A—Ce1A—O1A—N1A20.0 (2)P2A—C29A—C34A—C33A175.0 (5)
O5A—Ce1A—O1A—N1A97.7 (2)O12B—Ce1B—O1B—N1B163.8 (2)
O4A—Ce1A—O1A—N1A81.9 (2)O11B—Ce1B—O1B—N1B58.0 (2)
O7A—Ce1A—O1A—N1A20.1 (4)O10B—Ce1B—O1B—N1B157.1 (2)
N4A—Ce1A—O1A—N1A113.8 (2)O8B—Ce1B—O1B—N1B19.2 (2)
O11A—Ce1A—O2A—N1A136.1 (2)O2B—Ce1B—O1B—N1B5.30 (19)
O12A—Ce1A—O2A—N1A4.8 (3)O4B—Ce1B—O1B—N1B101.5 (2)
O10A—Ce1A—O2A—N1A113.1 (3)O5B—Ce1B—O1B—N1B83.3 (2)
O8A—Ce1A—O2A—N1A148.0 (3)O7B—Ce1B—O1B—N1B21.0 (4)
O1A—Ce1A—O2A—N1A5.5 (2)N4B—Ce1B—O1B—N1B114.1 (2)
O5A—Ce1A—O2A—N1A93.8 (2)O12B—Ce1B—O2B—N1B6.4 (2)
O4A—Ce1A—O2A—N1A67.0 (2)O11B—Ce1B—O2B—N1B135.9 (2)
O7A—Ce1A—O2A—N1A164.7 (2)O10B—Ce1B—O2B—N1B109.0 (3)
N4A—Ce1A—O2A—N1A68.5 (2)O8B—Ce1B—O2B—N1B148.9 (2)
O11A—Ce1A—O4A—N2A109.8 (2)O1B—Ce1B—O2B—N1B5.35 (19)
O12A—Ce1A—O4A—N2A82.7 (2)O4B—Ce1B—O2B—N1B92.2 (2)
O10A—Ce1A—O4A—N2A31.1 (3)O5B—Ce1B—O2B—N1B68.0 (2)
O2A—Ce1A—O4A—N2A148.8 (2)O7B—Ce1B—O2B—N1B164.4 (2)
O8A—Ce1A—O4A—N2A80.8 (2)N4B—Ce1B—O2B—N1B68.4 (2)
O1A—Ce1A—O4A—N2A158.3 (3)O12B—Ce1B—O4B—N2B77.1 (2)
O5A—Ce1A—O4A—N2A2.0 (2)O11B—Ce1B—O4B—N2B136.9 (2)
O7A—Ce1A—O4A—N2A41.1 (2)O10B—Ce1B—O4B—N2B149.7 (2)
N4A—Ce1A—O4A—N2A138.2 (2)O8B—Ce1B—O4B—N2B88.7 (2)
N1A—Ce1A—O4A—N2A174.3 (3)O2B—Ce1B—O4B—N2B37.8 (2)
O11A—Ce1A—O5A—N2A131.4 (2)O1B—Ce1B—O4B—N2B16.8 (2)
O12A—Ce1A—O5A—N2A81.1 (2)O5B—Ce1B—O4B—N2B5.9 (2)
O10A—Ce1A—O5A—N2A152.8 (2)O7B—Ce1B—O4B—N2B139.1 (2)
O2A—Ce1A—O5A—N2A36.9 (3)N4B—Ce1B—O4B—N2B104.9 (2)
O8A—Ce1A—O5A—N2A87.6 (2)N1B—Ce1B—O4B—N2B10.4 (2)
O1A—Ce1A—O5A—N2A17.2 (3)O12B—Ce1B—O5B—N2B76.6 (2)
O4A—Ce1A—O5A—N2A2.1 (2)O11B—Ce1B—O5B—N2B113.9 (2)
O7A—Ce1A—O5A—N2A139.5 (2)O10B—Ce1B—O5B—N2B24.9 (3)
N4A—Ce1A—O5A—N2A104.5 (3)O8B—Ce1B—O5B—N2B89.7 (2)
N1A—Ce1A—O5A—N2A9.7 (3)O2B—Ce1B—O5B—N2B156.5 (2)
O11A—Ce1A—O7A—N3A80.1 (2)O1B—Ce1B—O5B—N2B151.5 (2)
O12A—Ce1A—O7A—N3A144.4 (2)O4B—Ce1B—O5B—N2B5.8 (2)
O10A—Ce1A—O7A—N3A170.7 (2)O7B—Ce1B—O5B—N2B48.3 (2)
O2A—Ce1A—O7A—N3A14.3 (2)N4B—Ce1B—O5B—N2B128.3 (2)
O8A—Ce1A—O7A—N3A6.17 (19)N1B—Ce1B—O5B—N2B178.6 (2)
O1A—Ce1A—O7A—N3A6.3 (4)O12B—Ce1B—O7B—N3B146.1 (2)
O5A—Ce1A—O7A—N3A93.3 (2)O11B—Ce1B—O7B—N3B77.0 (2)
O4A—Ce1A—O7A—N3A61.8 (2)O10B—Ce1B—O7B—N3B167.4 (2)
N4A—Ce1A—O7A—N3A118.9 (2)O8B—Ce1B—O7B—N3B8.85 (19)
N1A—Ce1A—O7A—N3A5.3 (3)O2B—Ce1B—O7B—N3B9.9 (2)
O11A—Ce1A—O8A—N3A68.2 (2)O1B—Ce1B—O7B—N3B11.1 (4)
O12A—Ce1A—O8A—N3A99.3 (2)O4B—Ce1B—O7B—N3B101.2 (2)
O10A—Ce1A—O8A—N3A3.0 (2)O5B—Ce1B—O7B—N3B67.5 (2)
O2A—Ce1A—O8A—N3A152.6 (2)N4B—Ce1B—O7B—N3B115.4 (2)
O1A—Ce1A—O8A—N3A173.8 (2)N1B—Ce1B—O7B—N3B1.0 (3)
O5A—Ce1A—O8A—N3A78.8 (2)O12B—Ce1B—O8B—N3B104.1 (2)
O4A—Ce1A—O8A—N3A129.8 (2)O11B—Ce1B—O8B—N3B66.0 (2)
O7A—Ce1A—O8A—N3A6.2 (2)O10B—Ce1B—O8B—N3B4.8 (2)
N4A—Ce1A—O8A—N3A92.6 (2)O2B—Ce1B—O8B—N3B151.7 (2)
N1A—Ce1A—O8A—N3A165.6 (2)O1B—Ce1B—O8B—N3B172.1 (2)
O11A—Ce1A—O10A—C1'A94 (2)O4B—Ce1B—O8B—N3B78.7 (2)
O12A—Ce1A—O10A—C1'A117 (2)O5B—Ce1B—O8B—N3B128.7 (2)
O2A—Ce1A—O10A—C1'A116 (2)O7B—Ce1B—O8B—N3B8.76 (19)
O8A—Ce1A—O10A—C1'A28 (2)N4B—Ce1B—O8B—N3B90.6 (2)
O1A—Ce1A—O10A—C1'A156 (2)N1B—Ce1B—O8B—N3B164.1 (2)
O5A—Ce1A—O10A—C1'A39 (2)O12B—Ce1B—O10B—C1B129.1 (4)
O4A—Ce1A—O10A—C1'A64 (2)O11B—Ce1B—O10B—C1B80.8 (4)
O7A—Ce1A—O10A—C1'A25 (2)O8B—Ce1B—O10B—C1B16.0 (4)
N4A—Ce1A—O10A—C1'A163 (2)O2B—Ce1B—O10B—C1B107.4 (4)
N1A—Ce1A—O10A—C1'A179 (2)O1B—Ce1B—O10B—C1B167.9 (4)
O11A—Ce1A—O10A—C1A43.2 (5)O4B—Ce1B—O10B—C1B53.7 (4)
O12A—Ce1A—O10A—C1A167.5 (5)O5B—Ce1B—O10B—C1B76.3 (4)
O2A—Ce1A—O10A—C1A65.9 (6)O7B—Ce1B—O10B—C1B12.9 (4)
O8A—Ce1A—O10A—C1A22.3 (5)N4B—Ce1B—O10B—C1B150.0 (4)
O1A—Ce1A—O10A—C1A153.6 (5)N1B—Ce1B—O10B—C1B170.4 (4)
O5A—Ce1A—O10A—C1A89.6 (5)N5B—P1B—O11B—Ce1B9.4 (3)
O4A—Ce1A—O10A—C1A113.9 (5)C11B—P1B—O11B—Ce1B124.6 (2)
O7A—Ce1A—O10A—C1A24.9 (5)C17B—P1B—O11B—Ce1B110.1 (2)
N4A—Ce1A—O10A—C1A112.7 (5)O12B—Ce1B—O11B—P1B3.4 (3)
N1A—Ce1A—O10A—C1A130.4 (5)O10B—Ce1B—O11B—P1B51.7 (2)
N5A—P1A—O11A—Ce1A17.4 (3)O8B—Ce1B—O11B—P1B174.8 (3)
C17A—P1A—O11A—Ce1A131.6 (2)O2B—Ce1B—O11B—P1B118.8 (2)
C11A—P1A—O11A—Ce1A101.3 (3)O1B—Ce1B—O11B—P1B80.7 (2)
O12A—Ce1A—O11A—P1A11.8 (3)O4B—Ce1B—O11B—P1B125.3 (2)
O10A—Ce1A—O11A—P1A60.2 (2)O5B—Ce1B—O11B—P1B160.49 (18)
O2A—Ce1A—O11A—P1A111.3 (3)O7B—Ce1B—O11B—P1B123.1 (2)
O8A—Ce1A—O11A—P1A178.7 (3)N4B—Ce1B—O11B—P1B23.4 (2)
O1A—Ce1A—O11A—P1A73.3 (3)N1B—Ce1B—O11B—P1B101.8 (2)
O5A—Ce1A—O11A—P1A137.8 (2)N7B—P2B—O12B—Ce1B53.5 (11)
O4A—Ce1A—O11A—P1A149.3 (2)C29B—P2B—O12B—Ce1B168.0 (10)
O7A—Ce1A—O11A—P1A129.7 (3)C23B—P2B—O12B—Ce1B68.1 (11)
N4A—Ce1A—O11A—P1A16.4 (2)O11B—Ce1B—O12B—P2B32.4 (11)
N1A—Ce1A—O11A—P1A94.2 (2)O10B—Ce1B—O12B—P2B18.9 (11)
N7A—P2A—O12A—Ce1A85.3 (11)O8B—Ce1B—O12B—P2B132.5 (10)
C23A—P2A—O12A—Ce1A159.5 (11)O2B—Ce1B—O12B—P2B141.0 (10)
C29A—P2A—O12A—Ce1A38.3 (11)O1B—Ce1B—O12B—P2B131.6 (11)
O11A—Ce1A—O12A—P2A68.3 (11)O4B—Ce1B—O12B—P2B106.8 (11)
O10A—Ce1A—O12A—P2A16.8 (11)O5B—Ce1B—O12B—P2B157.3 (11)
O2A—Ce1A—O12A—P2A176.4 (11)O7B—Ce1B—O12B—P2B64.9 (11)
O8A—Ce1A—O12A—P2A93.2 (11)N4B—Ce1B—O12B—P2B57.9 (11)
O1A—Ce1A—O12A—P2A168.1 (11)N1B—Ce1B—O12B—P2B138.3 (11)
O5A—Ce1A—O12A—P2A73.3 (11)Ce1B—O2B—N1B—O3B169.9 (3)
O4A—Ce1A—O12A—P2A123.4 (11)Ce1B—O2B—N1B—O1B9.3 (3)
O7A—Ce1A—O12A—P2A26.9 (11)Ce1B—O1B—N1B—O3B170.0 (3)
N4A—Ce1A—O12A—P2A95.2 (11)Ce1B—O1B—N1B—O2B9.1 (3)
N1A—Ce1A—O12A—P2A174.4 (11)O12B—Ce1B—N1B—O3B83.3 (19)
Ce1A—O1A—N1A—O3A169.4 (3)O11B—Ce1B—N1B—O3B134.4 (19)
Ce1A—O1A—N1A—O2A9.5 (4)O10B—Ce1B—N1B—O3B139.2 (19)
Ce1A—O2A—N1A—O3A169.2 (3)O8B—Ce1B—N1B—O3B63.3 (19)
Ce1A—O2A—N1A—O1A9.7 (4)O2B—Ce1B—N1B—O3B91.1 (19)
O11A—Ce1A—N1A—O3A129.9 (19)O1B—Ce1B—N1B—O3B99 (2)
O12A—Ce1A—N1A—O3A88.8 (19)O4B—Ce1B—N1B—O3B9 (2)
O10A—Ce1A—N1A—O3A146.1 (18)O5B—Ce1B—N1B—O3B12.6 (19)
O2A—Ce1A—N1A—O3A87.0 (19)O7B—Ce1B—N1B—O3B71 (2)
O8A—Ce1A—N1A—O3A58.2 (19)N4B—Ce1B—N1B—O3B158.9 (19)
O1A—Ce1A—N1A—O3A103.0 (19)O12B—Ce1B—N1B—O2B174.4 (2)
O5A—Ce1A—N1A—O3A10.2 (19)O11B—Ce1B—N1B—O2B43.3 (2)
O4A—Ce1A—N1A—O3A16.6 (19)O10B—Ce1B—N1B—O2B129.7 (3)
O7A—Ce1A—N1A—O3A66.8 (19)O8B—Ce1B—N1B—O2B27.8 (2)
N4A—Ce1A—N1A—O3A163.4 (19)O1B—Ce1B—N1B—O2B170.3 (3)
O11A—Ce1A—N1A—O1A127.1 (2)O4B—Ce1B—N1B—O2B100.0 (2)
O12A—Ce1A—N1A—O1A14.2 (2)O5B—Ce1B—N1B—O2B103.7 (2)
O10A—Ce1A—N1A—O1A43.1 (4)O7B—Ce1B—N1B—O2B20.5 (3)
O2A—Ce1A—N1A—O1A170.0 (4)N4B—Ce1B—N1B—O2B110.0 (2)
O8A—Ce1A—N1A—O1A161.2 (2)O12B—Ce1B—N1B—O1B15.2 (2)
O5A—Ce1A—N1A—O1A92.8 (2)O11B—Ce1B—N1B—O1B127.0 (2)
O4A—Ce1A—N1A—O1A86.4 (2)O10B—Ce1B—N1B—O1B40.7 (3)
O7A—Ce1A—N1A—O1A169.8 (2)O8B—Ce1B—N1B—O1B161.8 (2)
N4A—Ce1A—N1A—O1A60.4 (2)O2B—Ce1B—N1B—O1B170.3 (3)
O11A—Ce1A—N1A—O2A42.9 (2)O4B—Ce1B—N1B—O1B89.6 (2)
O12A—Ce1A—N1A—O2A175.8 (2)O5B—Ce1B—N1B—O1B86.0 (2)
O10A—Ce1A—N1A—O2A126.9 (3)O7B—Ce1B—N1B—O1B169.19 (19)
O8A—Ce1A—N1A—O2A28.8 (2)N4B—Ce1B—N1B—O1B60.3 (2)
O1A—Ce1A—N1A—O2A170.0 (4)Ce1B—O4B—N2B—O6B168.9 (3)
O5A—Ce1A—N1A—O2A97.2 (2)Ce1B—O4B—N2B—O5B10.3 (3)
O4A—Ce1A—N1A—O2A103.6 (2)Ce1B—O5B—N2B—O6B169.1 (3)
O7A—Ce1A—N1A—O2A20.2 (3)Ce1B—O5B—N2B—O4B10.1 (3)
N4A—Ce1A—N1A—O2A109.7 (2)Ce1B—O7B—N3B—O9B164.0 (3)
Ce1A—O5A—N2A—O6A175.2 (4)Ce1B—O7B—N3B—O8B15.2 (3)
Ce1A—O5A—N2A—O4A3.7 (4)Ce1B—O8B—N3B—O9B163.0 (3)
Ce1A—O4A—N2A—O6A175.3 (4)Ce1B—O8B—N3B—O7B16.2 (3)
Ce1A—O4A—N2A—O5A3.6 (4)C5B—O13B—N4B—C3B1.2 (4)
Ce1A—O8A—N3A—O9A167.9 (3)C5B—O13B—N4B—Ce1B161.7 (2)
Ce1A—O8A—N3A—O7A11.4 (3)O12B—Ce1B—N4B—C3B119.3 (3)
Ce1A—O7A—N3A—O9A168.6 (3)O11B—Ce1B—N4B—C3B43.7 (3)
Ce1A—O7A—N3A—O8A10.7 (3)O10B—Ce1B—N4B—C3B44.9 (3)
C5A—O13A—N4A—C3A0.6 (4)O8B—Ce1B—N4B—C3B68.9 (4)
C5A—O13A—N4A—Ce1A159.6 (2)O2B—Ce1B—N4B—C3B121.0 (3)
O11A—Ce1A—N4A—C3A43.6 (3)O1B—Ce1B—N4B—C3B166.9 (4)
O12A—Ce1A—N4A—C3A118.1 (4)O4B—Ce1B—N4B—C3B91.8 (4)
O10A—Ce1A—N4A—C3A43.9 (3)O5B—Ce1B—N4B—C3B170.3 (3)
O2A—Ce1A—N4A—C3A120.3 (3)O7B—Ce1B—N4B—C3B5.7 (4)
O8A—Ce1A—N4A—C3A68.6 (4)N1B—Ce1B—N4B—C3B144.1 (3)
O1A—Ce1A—N4A—C3A166.6 (4)O12B—Ce1B—N4B—O13B38.8 (2)
O5A—Ce1A—N4A—C3A94.5 (4)O11B—Ce1B—N4B—O13B158.3 (3)
O4A—Ce1A—N4A—C3A173.9 (3)O10B—Ce1B—N4B—O13B113.2 (3)
O7A—Ce1A—N4A—C3A5.3 (4)O8B—Ce1B—N4B—O13B133.0 (2)
N1A—Ce1A—N4A—C3A143.7 (4)O2B—Ce1B—N4B—O13B80.9 (2)
O11A—Ce1A—N4A—O13A162.8 (3)O1B—Ce1B—N4B—O13B35.0 (2)
O12A—Ce1A—N4A—O13A35.6 (2)O4B—Ce1B—N4B—O13B66.3 (3)
O10A—Ce1A—N4A—O13A109.7 (2)O5B—Ce1B—N4B—O13B12.3 (3)
O2A—Ce1A—N4A—O13A86.1 (2)O7B—Ce1B—N4B—O13B163.8 (2)
O8A—Ce1A—N4A—O13A137.8 (2)N1B—Ce1B—N4B—O13B57.8 (2)
O1A—Ce1A—N4A—O13A39.8 (2)O11B—P1B—N5B—C3B56.1 (3)
O5A—Ce1A—N4A—O13A59.1 (3)C11B—P1B—N5B—C3B177.0 (3)
O4A—Ce1A—N4A—O13A20.3 (3)C17B—P1B—N5B—C3B64.5 (3)
O7A—Ce1A—N4A—O13A158.9 (2)C9B—O14B—N6B—C7B0.5 (4)
N1A—Ce1A—N4A—O13A62.7 (2)O12B—P2B—N7B—C7B64.2 (4)
O11A—P1A—N5A—C3A56.3 (3)C29B—P2B—N7B—C7B175.2 (4)
C17A—P1A—N5A—C3A176.6 (3)C23B—P2B—N7B—C7B59.6 (4)
C11A—P1A—N5A—C3A64.1 (3)Ce1B—O10B—C1B—C2B132.4 (4)
C9A—O14A—N6A—C7A0.3 (4)O13B—N4B—C3B—N5B178.0 (3)
O12A—P2A—N7A—C7A52.2 (4)Ce1B—N4B—C3B—N5B21.2 (5)
C23A—P2A—N7A—C7A174.3 (3)O13B—N4B—C3B—C4B1.0 (4)
C29A—P2A—N7A—C7A73.0 (4)Ce1B—N4B—C3B—C4B159.8 (3)
C1'A—O10A—C1A—C2A47 (2)P1B—N5B—C3B—N4B39.0 (5)
Ce1A—O10A—C1A—C2A165.5 (4)P1B—N5B—C3B—C4B139.9 (4)
C1A—O10A—C1'A—C2'A41.4 (18)N4B—C3B—C4B—C5B0.5 (5)
Ce1A—O10A—C1'A—C2'A142.8 (14)N5B—C3B—C4B—C5B178.5 (4)
O13A—N4A—C3A—N5A178.2 (3)C3B—C4B—C5B—O13B0.4 (5)
Ce1A—N4A—C3A—N5A25.5 (5)C3B—C4B—C5B—C6B176.8 (5)
O13A—N4A—C3A—C4A0.3 (4)N4B—O13B—C5B—C4B1.0 (4)
Ce1A—N4A—C3A—C4A156.0 (3)N4B—O13B—C5B—C6B178.1 (4)
P1A—N5A—C3A—N4A34.6 (5)O14B—N6B—C7B—N7B179.2 (3)
P1A—N5A—C3A—C4A143.6 (4)O14B—N6B—C7B—C8B0.5 (5)
N4A—C3A—C4A—C5A0.1 (5)P2B—N7B—C7B—N6B15.6 (6)
N5A—C3A—C4A—C5A178.4 (4)P2B—N7B—C7B—C8B164.1 (4)
N4A—O13A—C5A—C4A0.7 (4)N6B—C7B—C8B—C9B0.3 (5)
N4A—O13A—C5A—C6A179.3 (4)N7B—C7B—C8B—C9B179.4 (4)
C3A—C4A—C5A—O13A0.5 (4)N6B—O14B—C9B—C8B0.3 (5)
C3A—C4A—C5A—C6A178.7 (5)N6B—O14B—C9B—C10B179.7 (5)
O14A—N6A—C7A—N7A177.8 (3)C7B—C8B—C9B—O14B0.0 (5)
O14A—N6A—C7A—C8A0.4 (4)C7B—C8B—C9B—C10B179.2 (6)
P2A—N7A—C7A—N6A4.0 (6)O11B—P1B—C11B—C16B25.3 (4)
P2A—N7A—C7A—C8A178.1 (3)N5B—P1B—C11B—C16B96.0 (3)
N6A—C7A—C8A—C9A0.9 (5)C17B—P1B—C11B—C16B149.0 (3)
N7A—C7A—C8A—C9A177.2 (4)O11B—P1B—C11B—C12B157.6 (3)
C7A—C8A—C9A—O14A1.0 (5)N5B—P1B—C11B—C12B81.1 (4)
C7A—C8A—C9A—C10A176.7 (5)C17B—P1B—C11B—C12B33.8 (4)
N6A—O14A—C9A—C8A0.8 (5)C16B—C11B—C12B—C13B0.1 (6)
N6A—O14A—C9A—C10A177.4 (4)P1B—C11B—C12B—C13B177.2 (3)
O11A—P1A—C11A—C16A159.4 (3)C11B—C12B—C13B—C14B0.3 (6)
N5A—P1A—C11A—C16A37.4 (4)C12B—C13B—C14B—C15B0.1 (6)
C17A—P1A—C11A—C16A74.2 (4)C13B—C14B—C15B—C16B0.8 (6)
O11A—P1A—C11A—C12A18.0 (4)C14B—C15B—C16B—C11B1.0 (6)
N5A—P1A—C11A—C12A140.1 (3)C12B—C11B—C16B—C15B0.6 (6)
C17A—P1A—C11A—C12A108.3 (3)P1B—C11B—C16B—C15B176.7 (3)
C16A—C11A—C12A—C13A1.0 (6)O11B—P1B—C17B—C18B17.4 (4)
P1A—C11A—C12A—C13A178.4 (3)N5B—P1B—C17B—C18B140.2 (3)
C11A—C12A—C13A—C14A0.8 (6)C11B—P1B—C17B—C18B107.8 (3)
C12A—C13A—C14A—C15A0.4 (7)O11B—P1B—C17B—C22B160.6 (3)
C13A—C14A—C15A—C16A0.1 (7)N5B—P1B—C17B—C22B37.8 (4)
C14A—C15A—C16A—C11A0.2 (6)C11B—P1B—C17B—C22B74.2 (4)
C12A—C11A—C16A—C15A0.6 (6)C22B—C17B—C18B—C19B1.0 (6)
P1A—C11A—C16A—C15A178.0 (3)P1B—C17B—C18B—C19B179.0 (3)
O11A—P1A—C17A—C18A163.5 (3)C17B—C18B—C19B—C20B0.9 (6)
N5A—P1A—C17A—C18A76.1 (4)C18B—C19B—C20B—C21B0.3 (6)
C11A—P1A—C17A—C18A38.4 (4)C19B—C20B—C21B—C22B0.2 (6)
O11A—P1A—C17A—C22A21.4 (4)C20B—C21B—C22B—C17B0.0 (6)
N5A—P1A—C17A—C22A99.0 (3)C18B—C17B—C22B—C21B0.6 (6)
C11A—P1A—C17A—C22A146.5 (3)P1B—C17B—C22B—C21B178.5 (3)
C22A—C17A—C18A—C19A1.2 (6)O12B—P2B—C23B—C24B31.2 (4)
P1A—C17A—C18A—C19A173.7 (3)N7B—P2B—C23B—C24B157.6 (4)
C17A—C18A—C19A—C20A0.2 (6)C29B—P2B—C23B—C24B93.3 (4)
C18A—C19A—C20A—C21A1.2 (6)O12B—P2B—C23B—C28B149.8 (3)
C19A—C20A—C21A—C22A0.8 (6)N7B—P2B—C23B—C28B23.4 (4)
C20A—C21A—C22A—C17A0.6 (6)C29B—P2B—C23B—C28B85.7 (4)
C18A—C17A—C22A—C21A1.6 (6)C28B—C23B—C24B—C25B1.8 (7)
P1A—C17A—C22A—C21A173.6 (3)P2B—C23B—C24B—C25B177.2 (4)
O12A—P2A—C23A—C28A11.6 (4)C23B—C24B—C25B—C26B0.7 (8)
N7A—P2A—C23A—C28A112.2 (4)C24B—C25B—C26B—C27B0.5 (8)
C29A—P2A—C23A—C28A134.8 (4)C25B—C26B—C27B—C28B0.6 (8)
O12A—P2A—C23A—C24A171.9 (3)C26B—C27B—C28B—C23B0.5 (7)
N7A—P2A—C23A—C24A64.4 (4)C24B—C23B—C28B—C27B1.7 (6)
C29A—P2A—C23A—C24A48.7 (4)P2B—C23B—C28B—C27B177.3 (3)
C28A—C23A—C24A—C25A0.7 (7)O12B—P2B—C29B—C30B167.9 (3)
P2A—C23A—C24A—C25A175.8 (3)N7B—P2B—C29B—C30B69.1 (4)
C23A—C24A—C25A—C26A0.5 (7)C23B—P2B—C29B—C30B43.8 (4)
C24A—C25A—C26A—C27A0.5 (7)O12B—P2B—C29B—C34B17.8 (4)
C25A—C26A—C27A—C28A0.6 (7)N7B—P2B—C29B—C34B105.3 (3)
C24A—C23A—C28A—C27A0.8 (7)C23B—P2B—C29B—C34B141.8 (3)
P2A—C23A—C28A—C27A175.7 (4)C34B—C29B—C30B—C31B1.4 (6)
C26A—C27A—C28A—C23A0.8 (7)P2B—C29B—C30B—C31B172.9 (3)
O12A—P2A—C29A—C30A141.3 (3)C29B—C30B—C31B—C32B0.0 (7)
N7A—P2A—C29A—C30A13.6 (4)C30B—C31B—C32B—C33B1.7 (7)
C23A—P2A—C29A—C30A94.3 (4)C31B—C32B—C33B—C34B1.9 (7)
O12A—P2A—C29A—C34A43.2 (4)C32B—C33B—C34B—C29B0.5 (7)
N7A—P2A—C29A—C34A170.9 (4)C30B—C29B—C34B—C33B1.1 (6)
C23A—P2A—C29A—C34A81.2 (4)P2B—C29B—C34B—C33B173.2 (3)
C34A—C29A—C30A—C31A0.1 (6)C3S'—O2S—C3S—C4S22 (2)
P2A—C29A—C30A—C31A175.3 (3)C3S—O2S—C3S'—C4S'17.5 (16)
C29A—C30A—C31A—C32A0.8 (7)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N5A—H5A···O9Bi0.80 (5)2.13 (5)2.914 (4)168 (5)
N5B—H5B···O9A0.87 (5)2.01 (5)2.877 (4)173 (6)
N7A—H7A···O1S0.79 (4)2.07 (5)2.838 (5)165 (5)
N7B—H7B···O2S0.76 (5)2.08 (5)2.830 (5)167 (5)
O10A—H10V···N6A0.73 (6)2.06 (6)2.786 (4)179 (9)
O10B—H10W···N6B0.71 (5)2.15 (5)2.858 (4)170 (5)
O1S—H1S···O5Bii0.82 (6)2.14 (6)2.919 (4)161 (5)
O1S—H1S···O6Bii0.82 (6)2.51 (6)3.166 (5)138 (5)
O2S—H2S···O4Aiii0.82 (6)2.43 (6)3.209 (5)159 (6)
O2S—H2S···O6Aiii0.82 (6)2.33 (6)2.983 (6)137 (5)
Symmetry codes: (i) x, y1, z; (ii) x1, y1, z; (iii) x+1, y, z.
(IGE) top
Crystal data top
C34H36EuN7O14P2·C2H6OF(000) = 4160
Mr = 1026.67Dx = 1.590 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 954 reflections
a = 14.8395 (5) Åθ = 3–29°
b = 15.8178 (5) ŵ = 1.61 mm1
c = 36.7471 (11) ÅT = 100 K
β = 96.168 (1)°Prism, colourless
V = 8575.6 (5) Å30.17 × 0.12 × 0.10 mm
Z = 8
Data collection top
Bruker APEX II CCD area detector'
diffractometer
22773 independent reflections
Radiation source: fine-focus sealed tube18894 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
ω scansθmax = 29.0°, θmin = 1.7°
Absorption correction: multi-scan
SADABS (Sheldrick, 2003)
h = 2020
Tmin = 0.771, Tmax = 0.855k = 2121
104605 measured reflectionsl = 5050
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.029Hydrogen site location: mixed
wR(F2) = 0.062H 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 parametersΔρmax = 0.93 e Å3
0 restraintsΔρmin = 1.44 e Å3
Crystal data top
C34H36EuN7O14P2·C2H6OV = 8575.6 (5) Å3
Mr = 1026.67Z = 8
Monoclinic, P21/nMo Kα radiation
a = 14.8395 (5) ŵ = 1.61 mm1
b = 15.8178 (5) ÅT = 100 K
c = 36.7471 (11) Å0.17 × 0.12 × 0.10 mm
β = 96.168 (1)°
Data collection top
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 = 0.855Rint = 0.036
104605 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0290 restraints
wR(F2) = 0.062H 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 reflectionsΔρmax = 0.93 e Å3
1176 parametersΔρmin = 1.44 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Eu1A0.731265 (7)0.521073 (7)0.875513 (3)0.01089 (3)
P1A0.52326 (4)0.63898 (4)0.879285 (16)0.01315 (11)
P2A0.96823 (4)0.62481 (4)0.878464 (16)0.01363 (11)
O1A0.76565 (12)0.52959 (11)0.80942 (4)0.0204 (3)
O2A0.64615 (12)0.45960 (11)0.81978 (5)0.0210 (4)
O3A0.69597 (15)0.45132 (12)0.76627 (5)0.0298 (4)
O4A0.82543 (12)0.39673 (11)0.85542 (5)0.0229 (4)
O5A0.83595 (12)0.42192 (11)0.91352 (5)0.0206 (4)
O6A0.91879 (15)0.32354 (13)0.89296 (7)0.0427 (6)
O7A0.66773 (11)0.46032 (10)0.93622 (4)0.0177 (3)
O8A0.64547 (11)0.38770 (10)0.88616 (4)0.0157 (3)
O9A0.57258 (12)0.35503 (11)0.93268 (5)0.0224 (4)
O11A0.57892 (11)0.56003 (10)0.88092 (5)0.0160 (3)
O12A0.87849 (11)0.58178 (10)0.87358 (4)0.0160 (3)
O13A0.75721 (11)0.70998 (10)0.82566 (4)0.0174 (3)
O14A0.81385 (12)0.83531 (11)0.92168 (5)0.0215 (4)
N1A0.70249 (14)0.47955 (13)0.79743 (5)0.0193 (4)
N2A0.86113 (14)0.37940 (13)0.88759 (6)0.0220 (4)
N3A0.62811 (13)0.40057 (12)0.91891 (5)0.0145 (4)
N4A0.69863 (13)0.67453 (12)0.84935 (5)0.0143 (4)
N5A0.58677 (13)0.72548 (12)0.88385 (6)0.0149 (4)
H5A0.571 (2)0.7636 (19)0.8949 (8)0.022 (8)*
N6A0.85515 (13)0.76069 (12)0.91034 (6)0.0180 (4)
N7A0.96629 (13)0.72868 (12)0.87176 (5)0.0162 (4)
C3A0.65285 (15)0.73918 (14)0.86072 (6)0.0133 (4)
C4A0.68014 (16)0.81689 (15)0.84625 (6)0.0174 (5)
H4AA0.65810.87190.85060.021*
C5A0.74482 (17)0.79473 (15)0.82486 (6)0.0182 (5)
C6A0.8007 (2)0.84253 (17)0.80083 (7)0.0290 (6)
H6AA0.86470.82820.80710.044*
H6AB0.79200.90330.80430.044*
H6AC0.78220.82770.77520.044*
C7A0.91485 (16)0.78613 (15)0.88888 (6)0.0164 (4)
C8A0.91674 (18)0.87557 (15)0.88552 (7)0.0218 (5)
H8AA0.95470.90890.87200.026*
C9A0.8523 (2)0.90215 (16)0.90593 (7)0.0255 (5)
C10A0.8142 (3)0.98638 (19)0.91392 (9)0.0471 (9)
H10A0.77491.00620.89250.071*
H10B0.86391.02670.91960.071*
H10C0.77890.98170.93490.071*
C11A0.45720 (15)0.64622 (15)0.83550 (6)0.0160 (4)
C12A0.44376 (16)0.57329 (15)0.81390 (7)0.0191 (5)
H12A0.46770.52060.82280.023*
C13A0.39503 (17)0.57856 (17)0.77938 (7)0.0230 (5)
H13A0.38540.52920.76480.028*
C14A0.36048 (17)0.65564 (18)0.76626 (7)0.0247 (5)
H14A0.32720.65880.74270.030*
C15A0.37440 (17)0.72814 (17)0.78746 (7)0.0229 (5)
H15A0.35090.78080.77830.028*
C16A0.42257 (16)0.72400 (15)0.82205 (7)0.0184 (5)
H16A0.43200.77360.83650.022*
C17A0.45667 (15)0.64776 (14)0.91680 (6)0.0153 (4)
C18A0.38316 (16)0.70277 (15)0.91627 (7)0.0179 (5)
H18A0.36280.73290.89460.021*
C19A0.33970 (16)0.71333 (16)0.94783 (7)0.0202 (5)
H19A0.28960.75080.94770.024*
C20A0.36976 (17)0.66908 (16)0.97949 (7)0.0208 (5)
H20A0.34060.67691.00100.025*
C21A0.44213 (17)0.61359 (16)0.97977 (7)0.0218 (5)
H21A0.46200.58311.00140.026*
C22A0.48558 (16)0.60237 (16)0.94862 (7)0.0196 (5)
H22A0.53490.56400.94880.023*
C23A1.04230 (15)0.59356 (14)0.84562 (6)0.0164 (4)
C24A1.13273 (16)0.62031 (16)0.85021 (7)0.0202 (5)
H24A1.15530.65090.87150.024*
C25A1.18910 (17)0.60196 (17)0.82358 (7)0.0227 (5)
H25A1.25040.62020.82650.027*
C26A1.15602 (18)0.55697 (18)0.79259 (7)0.0255 (5)
H26A1.19470.54480.77430.031*
C27A1.06664 (18)0.52974 (18)0.78827 (8)0.0286 (6)
H27A1.04460.49860.76700.034*
C28A1.00911 (17)0.54755 (17)0.81471 (7)0.0231 (5)
H28A0.94800.52860.81180.028*
C29A1.02631 (15)0.60557 (15)0.92308 (6)0.0165 (4)
C30A1.07679 (16)0.66720 (16)0.94296 (7)0.0199 (5)
H30A1.07790.72340.93390.024*
C31A1.12583 (17)0.64672 (18)0.97626 (7)0.0240 (5)
H31A1.16000.68920.98980.029*
C32A1.1253 (2)0.5659 (2)0.98970 (8)0.0346 (7)
H32A1.15900.55251.01240.042*
C33A1.0753 (3)0.5039 (2)0.96995 (10)0.0510 (10)
H33A1.07490.44780.97910.061*
C34A1.0259 (2)0.52355 (18)0.93683 (9)0.0369 (7)
H34A0.99160.48090.92350.044*
Eu1B0.649778 (7)0.979599 (7)0.118723 (3)0.01061 (3)
P1B0.43904 (4)0.86475 (4)0.119313 (15)0.01189 (10)
P2B0.87874 (4)0.86760 (4)0.114352 (16)0.01318 (11)
O1B0.73087 (11)0.97595 (11)0.18335 (4)0.0184 (3)
O2B0.60662 (12)1.04801 (11)0.17602 (5)0.0207 (4)
O3B0.69626 (13)1.05970 (11)0.22696 (5)0.0250 (4)
O4B0.73168 (11)1.06776 (10)0.07496 (4)0.0181 (3)
O5B0.76262 (12)1.10238 (11)0.13176 (5)0.0204 (4)
O6B0.84147 (13)1.15625 (13)0.09074 (6)0.0350 (5)
O7B0.54537 (11)1.03847 (10)0.06002 (4)0.0171 (3)
O8B0.55928 (11)1.11290 (10)0.10970 (4)0.0156 (3)
O9B0.44789 (12)1.13850 (11)0.06734 (5)0.0232 (4)
O10B0.64226 (11)0.87801 (10)0.06875 (4)0.0159 (3)
O11B0.49474 (10)0.94327 (10)0.11825 (4)0.0148 (3)
O12B0.79539 (10)0.91804 (10)0.11809 (4)0.0151 (3)
O13B0.70094 (11)0.79116 (10)0.17277 (4)0.0168 (3)
O14B0.70413 (12)0.65373 (10)0.07544 (5)0.0204 (4)
N1B0.67841 (14)1.02871 (12)0.19654 (5)0.0170 (4)
N2B0.78004 (14)1.10984 (13)0.09872 (6)0.0200 (4)
N3B0.51640 (13)1.09721 (12)0.07853 (5)0.0158 (4)
N4B0.63180 (12)0.82686 (12)0.14813 (5)0.0142 (4)
N5B0.49878 (13)0.77773 (12)0.11457 (5)0.0133 (4)
H5B0.4772 (19)0.7394 (18)0.1028 (8)0.017 (7)*
N6B0.74606 (13)0.73052 (12)0.08773 (5)0.0167 (4)
N7B0.87501 (14)0.76751 (12)0.12691 (6)0.0173 (4)
H7B0.908 (2)0.750 (2)0.1426 (8)0.026 (8)*
C1B0.61661 (17)0.87192 (16)0.02955 (6)0.0203 (5)
H1BA0.67190.86960.01670.024*
H1BB0.58180.92290.02100.024*
C2B0.55985 (19)0.79418 (17)0.02014 (7)0.0267 (6)
H2BA0.54620.79010.00650.040*
H2BB0.50320.79820.03150.040*
H2BC0.59340.74380.02930.040*
C3B0.57679 (15)0.76330 (14)0.13794 (6)0.0130 (4)
C4B0.60782 (16)0.68582 (15)0.15420 (6)0.0177 (5)
H4BA0.58090.63150.15090.021*
C5B0.68446 (17)0.70727 (15)0.17540 (6)0.0185 (5)
C6B0.74975 (19)0.65909 (18)0.20105 (8)0.0292 (6)
H6BA0.81160.67040.19540.044*
H6BB0.73700.59850.19840.044*
H6BC0.74360.67660.22620.044*
C7B0.81683 (16)0.70755 (14)0.11004 (6)0.0159 (4)
C8B0.82454 (18)0.61846 (15)0.11382 (8)0.0243 (5)
H8BA0.86920.58710.12860.029*
C9B0.75367 (19)0.58879 (16)0.09149 (8)0.0280 (6)
C10B0.7194 (3)0.50267 (18)0.08138 (12)0.0537 (11)
H10D0.69900.50090.05510.081*
H10E0.66850.48910.09530.081*
H10F0.76800.46130.08710.081*
C11B0.35181 (15)0.85824 (14)0.08173 (6)0.0141 (4)
C12B0.27516 (15)0.80745 (15)0.08262 (6)0.0166 (4)
H12B0.26610.77690.10420.020*
C13B0.21219 (16)0.80180 (15)0.05185 (7)0.0197 (5)
H13B0.15980.76750.05240.024*
C14B0.22596 (17)0.84654 (16)0.02030 (7)0.0209 (5)
H14B0.18280.84250.00070.025*
C15B0.30188 (17)0.89677 (16)0.01918 (7)0.0212 (5)
H15B0.31090.92680.00250.025*
C16B0.36497 (16)0.90327 (15)0.04987 (6)0.0180 (5)
H16B0.41690.93820.04930.022*
C17B0.39465 (15)0.85706 (14)0.16274 (6)0.0135 (4)
C18B0.39156 (15)0.92941 (15)0.18448 (6)0.0175 (5)
H18B0.41150.98220.17600.021*
C19B0.35910 (16)0.92387 (17)0.21863 (7)0.0211 (5)
H19B0.35670.97300.23340.025*
C20B0.33033 (17)0.84670 (17)0.23110 (7)0.0228 (5)
H20B0.30800.84310.25430.027*
C21B0.33409 (17)0.77453 (17)0.20962 (7)0.0222 (5)
H21B0.31450.72180.21830.027*
C22B0.36626 (16)0.77938 (15)0.17561 (6)0.0181 (5)
H22B0.36900.73000.16110.022*
C23B0.90561 (15)0.86713 (15)0.06782 (6)0.0177 (5)
C24B0.8849 (2)0.93786 (18)0.04589 (7)0.0286 (6)
H24B0.85450.98470.05520.034*
C25B0.9091 (2)0.9397 (2)0.01015 (8)0.0399 (8)
H25B0.89550.98810.00480.048*
C26B0.9526 (2)0.8714 (2)0.00347 (8)0.0364 (7)
H26B0.96960.87310.02770.044*
C27B0.97164 (18)0.8008 (2)0.01790 (8)0.0305 (6)
H27B1.00060.75350.00820.037*
C28B0.94879 (16)0.79807 (17)0.05352 (7)0.0226 (5)
H28B0.96250.74930.06820.027*
C29B0.97375 (15)0.90382 (14)0.14429 (6)0.0156 (4)
C30B1.06084 (16)0.87498 (16)0.14014 (7)0.0207 (5)
H30B1.07140.84140.11960.025*
C31B1.13231 (17)0.89586 (17)0.16636 (7)0.0255 (6)
H31B1.19170.87600.16380.031*
C32B1.11686 (17)0.94545 (17)0.19613 (7)0.0238 (5)
H32B1.16560.95850.21420.029*
C33B1.03076 (17)0.97626 (16)0.19977 (7)0.0220 (5)
H33B1.02111.01180.21980.026*
C34B0.95867 (16)0.95506 (15)0.17409 (7)0.0183 (5)
H34B0.89940.97520.17680.022*
O10A0.75961 (11)0.61770 (10)0.92720 (4)0.0188 (3)
C2A0.7839 (4)0.6857 (3)0.98813 (13)0.0302 (11)0.60
H2AA0.76080.68711.01210.045*0.60
H2AB0.78540.74330.97830.045*0.60
H2AC0.84530.66200.99070.045*0.60
C1A0.7239 (4)0.6325 (3)0.96279 (13)0.0291 (11)0.60
H1AA0.66390.66010.95830.035*0.60
H1AB0.71520.57730.97460.035*0.60
C1'A0.7755 (6)0.6186 (4)0.96435 (17)0.0218 (13)0.40
H1'A0.84170.61900.97160.026*0.40
H1'B0.75030.56650.97430.026*0.40
C2'A0.7323 (6)0.6965 (6)0.9807 (2)0.0339 (18)0.40
H2'A0.74270.69411.00750.051*0.40
H2'B0.66700.69700.97310.051*0.40
H2'C0.75970.74810.97200.051*0.40
O1S0.07558 (12)0.82275 (12)0.82735 (5)0.0235 (4)
C1S0.11108 (18)0.81660 (19)0.79263 (7)0.0282 (6)
H1SA0.16470.77900.79470.034*
H1SB0.13000.87320.78480.034*
O2S0.00007 (14)0.68435 (13)0.17818 (5)0.0321 (4)
C2S0.0388 (2)0.7816 (2)0.76495 (8)0.0376 (7)
H2SA0.06360.77400.74150.056*
H2SB0.01240.82090.76180.056*
H2SC0.01820.72690.77350.056*
C3S0.0142 (8)0.7128 (8)0.2133 (4)0.032 (2)0.45
H3SA0.03600.69340.22690.039*0.45
H3SB0.01390.77530.21330.039*0.45
C4S0.1010 (6)0.6826 (8)0.2323 (3)0.051 (3)0.45
H4SA0.10820.70430.25750.077*0.45
H4SB0.15120.70290.21940.077*0.45
H4SC0.10130.62070.23280.077*0.45
C4'S0.0646 (9)0.6664 (8)0.2426 (3)0.040 (3)0.35
H4'A0.08880.69580.26510.060*0.35
H4'B0.10920.62520.23590.060*0.35
H4'C0.00850.63710.24680.060*0.35
C3'S0.0452 (9)0.7302 (9)0.2119 (4)0.027 (3)0.35
H3'A0.10240.75690.20620.033*0.35
H3'B0.00470.77520.21950.033*0.35
C4RS0.0746 (15)0.7455 (14)0.2357 (5)0.051 (5)0.20
H4RA0.09480.73360.26140.077*0.20
H4RB0.03430.79470.23400.077*0.20
H4RC0.12730.75720.22250.077*0.20
C3RS0.0273 (9)0.6743 (9)0.2197 (3)0.044 (5)0.20
H3RA0.02800.66510.23210.053*0.20
H3RB0.06600.62350.22390.053*0.20
H7A0.99700.74770.85550.053*
H1OB0.67650.83930.07310.053*
H1S0.11630.83780.84530.053*
H2S0.04290.67570.16620.053*
H1OA0.79290.66020.92240.053*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Eu1A0.01217 (5)0.00948 (5)0.01108 (5)0.00055 (4)0.00155 (4)0.00111 (4)
P1A0.0115 (3)0.0116 (3)0.0165 (3)0.0006 (2)0.0021 (2)0.0007 (2)
P2A0.0122 (3)0.0114 (3)0.0175 (3)0.0003 (2)0.0027 (2)0.0021 (2)
O1A0.0275 (9)0.0186 (8)0.0157 (8)0.0017 (7)0.0051 (7)0.0007 (7)
O2A0.0221 (9)0.0252 (9)0.0154 (8)0.0038 (7)0.0006 (7)0.0025 (7)
O3A0.0530 (13)0.0253 (10)0.0114 (8)0.0021 (9)0.0043 (8)0.0059 (7)
O4A0.0284 (9)0.0174 (8)0.0233 (9)0.0039 (7)0.0042 (7)0.0020 (7)
O5A0.0204 (9)0.0203 (9)0.0206 (9)0.0015 (7)0.0001 (7)0.0027 (7)
O6A0.0380 (12)0.0294 (11)0.0596 (15)0.0235 (10)0.0003 (11)0.0036 (10)
O7A0.0220 (8)0.0135 (8)0.0174 (8)0.0041 (6)0.0003 (7)0.0044 (6)
O8A0.0218 (8)0.0133 (7)0.0127 (7)0.0024 (6)0.0044 (6)0.0020 (6)
O9A0.0288 (9)0.0219 (9)0.0178 (8)0.0112 (7)0.0086 (7)0.0024 (7)
O11A0.0136 (8)0.0127 (7)0.0222 (8)0.0017 (6)0.0036 (6)0.0007 (6)
O12A0.0131 (8)0.0152 (8)0.0200 (8)0.0003 (6)0.0033 (6)0.0019 (6)
O13A0.0206 (8)0.0155 (8)0.0174 (8)0.0006 (6)0.0079 (7)0.0032 (6)
O14A0.0272 (9)0.0175 (8)0.0206 (9)0.0074 (7)0.0066 (7)0.0029 (7)
N1A0.0288 (11)0.0155 (9)0.0136 (9)0.0041 (9)0.0024 (8)0.0015 (8)
N2A0.0188 (10)0.0160 (10)0.0313 (12)0.0022 (8)0.0025 (9)0.0004 (9)
N3A0.0159 (9)0.0119 (9)0.0155 (9)0.0005 (7)0.0006 (7)0.0003 (7)
N4A0.0141 (9)0.0145 (9)0.0147 (9)0.0004 (7)0.0034 (7)0.0021 (7)
N5A0.0137 (9)0.0115 (9)0.0201 (10)0.0011 (7)0.0040 (8)0.0023 (8)
N6A0.0190 (10)0.0136 (9)0.0218 (10)0.0053 (8)0.0049 (8)0.0034 (8)
N7A0.0190 (9)0.0117 (9)0.0188 (10)0.0010 (7)0.0065 (8)0.0011 (7)
C3A0.0133 (10)0.0134 (10)0.0125 (10)0.0005 (8)0.0015 (8)0.0010 (8)
C4A0.0218 (11)0.0124 (10)0.0178 (11)0.0018 (9)0.0018 (9)0.0012 (9)
C5A0.0258 (12)0.0142 (11)0.0145 (11)0.0009 (9)0.0012 (9)0.0037 (9)
C6A0.0417 (16)0.0239 (13)0.0234 (13)0.0064 (12)0.0122 (12)0.0053 (11)
C7A0.0176 (11)0.0146 (11)0.0168 (11)0.0022 (9)0.0015 (9)0.0005 (9)
C8A0.0337 (14)0.0128 (11)0.0192 (12)0.0025 (10)0.0044 (10)0.0007 (9)
C9A0.0394 (15)0.0160 (12)0.0214 (12)0.0075 (11)0.0045 (11)0.0005 (10)
C10A0.083 (3)0.0210 (14)0.0411 (18)0.0228 (16)0.0234 (18)0.0035 (13)
C11A0.0123 (10)0.0187 (11)0.0175 (11)0.0009 (8)0.0034 (8)0.0005 (9)
C12A0.0170 (11)0.0180 (11)0.0229 (12)0.0007 (9)0.0050 (9)0.0031 (9)
C13A0.0214 (12)0.0279 (13)0.0206 (12)0.0028 (10)0.0053 (10)0.0083 (10)
C14A0.0208 (12)0.0372 (15)0.0161 (11)0.0003 (11)0.0023 (9)0.0013 (11)
C15A0.0216 (12)0.0266 (13)0.0205 (12)0.0027 (10)0.0018 (10)0.0039 (10)
C16A0.0181 (11)0.0181 (11)0.0191 (11)0.0006 (9)0.0026 (9)0.0003 (9)
C17A0.0156 (10)0.0144 (10)0.0161 (11)0.0031 (8)0.0035 (8)0.0021 (8)
C18A0.0171 (11)0.0161 (11)0.0208 (12)0.0004 (9)0.0038 (9)0.0029 (9)
C19A0.0170 (11)0.0198 (12)0.0247 (12)0.0032 (9)0.0063 (9)0.0005 (10)
C20A0.0203 (12)0.0237 (12)0.0191 (12)0.0009 (10)0.0057 (9)0.0045 (10)
C21A0.0251 (13)0.0253 (13)0.0148 (11)0.0038 (10)0.0012 (9)0.0016 (10)
C22A0.0178 (11)0.0220 (12)0.0187 (11)0.0051 (9)0.0010 (9)0.0017 (9)
C23A0.0154 (11)0.0142 (10)0.0199 (11)0.0027 (8)0.0037 (9)0.0014 (9)
C24A0.0157 (11)0.0231 (12)0.0219 (12)0.0006 (9)0.0030 (9)0.0038 (10)
C25A0.0158 (11)0.0274 (13)0.0259 (13)0.0002 (10)0.0062 (10)0.0022 (10)
C26A0.0238 (13)0.0293 (14)0.0248 (13)0.0037 (11)0.0089 (10)0.0062 (11)
C27A0.0252 (13)0.0348 (15)0.0261 (13)0.0012 (11)0.0050 (11)0.0140 (12)
C28A0.0168 (11)0.0258 (13)0.0269 (13)0.0002 (10)0.0031 (10)0.0087 (10)
C29A0.0130 (10)0.0172 (11)0.0194 (11)0.0003 (8)0.0026 (8)0.0001 (9)
C30A0.0181 (11)0.0198 (12)0.0221 (12)0.0004 (9)0.0034 (9)0.0037 (10)
C31A0.0182 (12)0.0327 (14)0.0210 (12)0.0024 (10)0.0015 (9)0.0110 (11)
C32A0.0292 (15)0.0436 (18)0.0285 (15)0.0020 (13)0.0088 (12)0.0063 (13)
C33A0.059 (2)0.0314 (17)0.055 (2)0.0126 (15)0.0306 (18)0.0207 (15)
C34A0.0420 (17)0.0206 (13)0.0427 (17)0.0113 (12)0.0209 (14)0.0074 (13)
Eu1B0.01103 (5)0.00919 (5)0.01141 (5)0.00034 (4)0.00030 (4)0.00111 (4)
P1B0.0115 (2)0.0116 (3)0.0125 (3)0.0005 (2)0.0004 (2)0.0008 (2)
P2B0.0121 (3)0.0116 (3)0.0155 (3)0.0008 (2)0.0002 (2)0.0013 (2)
O1B0.0209 (8)0.0174 (8)0.0164 (8)0.0013 (7)0.0001 (6)0.0018 (7)
O2B0.0215 (9)0.0243 (9)0.0159 (8)0.0041 (7)0.0004 (7)0.0025 (7)
O3B0.0408 (11)0.0221 (9)0.0114 (8)0.0044 (8)0.0004 (7)0.0038 (7)
O4B0.0174 (8)0.0183 (8)0.0183 (8)0.0003 (6)0.0004 (6)0.0031 (7)
O5B0.0223 (9)0.0170 (8)0.0217 (9)0.0047 (7)0.0012 (7)0.0016 (7)
O6B0.0271 (10)0.0347 (11)0.0429 (12)0.0176 (9)0.0030 (9)0.0107 (9)
O7B0.0213 (8)0.0132 (8)0.0169 (8)0.0016 (6)0.0029 (6)0.0045 (6)
O8B0.0187 (8)0.0130 (7)0.0141 (8)0.0017 (6)0.0027 (6)0.0022 (6)
O9B0.0240 (9)0.0215 (9)0.0225 (9)0.0116 (7)0.0046 (7)0.0017 (7)
O10B0.0188 (8)0.0138 (8)0.0143 (8)0.0036 (6)0.0023 (6)0.0028 (6)
O11B0.0141 (7)0.0119 (7)0.0182 (8)0.0013 (6)0.0005 (6)0.0002 (6)
O12B0.0126 (7)0.0129 (7)0.0195 (8)0.0015 (6)0.0000 (6)0.0023 (6)
O13B0.0162 (8)0.0159 (8)0.0170 (8)0.0009 (6)0.0042 (6)0.0027 (6)
O14B0.0218 (9)0.0133 (8)0.0251 (9)0.0030 (7)0.0024 (7)0.0024 (7)
N1B0.0242 (10)0.0131 (9)0.0137 (9)0.0040 (8)0.0019 (8)0.0008 (7)
N2B0.0165 (10)0.0169 (10)0.0261 (11)0.0001 (8)0.0005 (8)0.0050 (8)
N3B0.0197 (10)0.0111 (9)0.0167 (9)0.0006 (7)0.0019 (8)0.0005 (7)
N4B0.0134 (9)0.0148 (9)0.0133 (9)0.0015 (7)0.0031 (7)0.0023 (7)
N5B0.0135 (9)0.0110 (9)0.0148 (9)0.0019 (7)0.0011 (7)0.0024 (7)
N6B0.0183 (9)0.0116 (9)0.0198 (10)0.0026 (7)0.0002 (8)0.0039 (7)
N7B0.0176 (10)0.0112 (9)0.0219 (10)0.0011 (8)0.0044 (8)0.0005 (8)
C1B0.0267 (13)0.0210 (12)0.0132 (11)0.0004 (10)0.0016 (9)0.0021 (9)
C2B0.0318 (14)0.0239 (13)0.0225 (13)0.0031 (11)0.0050 (11)0.0035 (10)
C3B0.0133 (10)0.0143 (10)0.0118 (10)0.0016 (8)0.0035 (8)0.0001 (8)
C4B0.0205 (11)0.0127 (10)0.0198 (11)0.0006 (9)0.0011 (9)0.0041 (9)
C5B0.0225 (12)0.0153 (11)0.0172 (11)0.0022 (9)0.0003 (9)0.0036 (9)
C6B0.0320 (15)0.0253 (13)0.0277 (14)0.0051 (11)0.0087 (11)0.0092 (11)
C7B0.0177 (11)0.0121 (10)0.0180 (11)0.0007 (8)0.0028 (9)0.0002 (8)
C8B0.0258 (13)0.0118 (11)0.0333 (14)0.0019 (9)0.0065 (11)0.0010 (10)
C9B0.0294 (14)0.0144 (12)0.0384 (16)0.0010 (10)0.0056 (12)0.0007 (11)
C10B0.055 (2)0.0151 (14)0.083 (3)0.0061 (13)0.028 (2)0.0041 (15)
C11B0.0120 (10)0.0140 (10)0.0159 (10)0.0019 (8)0.0009 (8)0.0018 (8)
C12B0.0154 (10)0.0157 (11)0.0182 (11)0.0006 (8)0.0002 (9)0.0020 (9)
C13B0.0158 (11)0.0187 (11)0.0235 (12)0.0014 (9)0.0025 (9)0.0049 (9)
C14B0.0203 (12)0.0209 (12)0.0197 (12)0.0035 (9)0.0062 (9)0.0064 (10)
C15B0.0251 (12)0.0234 (12)0.0145 (11)0.0029 (10)0.0010 (9)0.0001 (9)
C16B0.0165 (11)0.0205 (11)0.0168 (11)0.0003 (9)0.0010 (9)0.0005 (9)
C17B0.0124 (10)0.0160 (10)0.0115 (10)0.0004 (8)0.0006 (8)0.0007 (8)
C18B0.0147 (11)0.0185 (11)0.0188 (11)0.0006 (9)0.0004 (9)0.0028 (9)
C19B0.0182 (11)0.0262 (13)0.0184 (11)0.0033 (9)0.0011 (9)0.0073 (10)
C20B0.0196 (12)0.0338 (14)0.0152 (11)0.0026 (10)0.0026 (9)0.0012 (10)
C21B0.0261 (13)0.0230 (12)0.0179 (12)0.0004 (10)0.0037 (10)0.0041 (10)
C22B0.0187 (11)0.0180 (11)0.0176 (11)0.0007 (9)0.0023 (9)0.0008 (9)
C23B0.0123 (10)0.0218 (12)0.0186 (11)0.0015 (9)0.0003 (8)0.0018 (9)
C24B0.0345 (15)0.0284 (14)0.0240 (13)0.0095 (12)0.0090 (11)0.0025 (11)
C25B0.0462 (19)0.0484 (19)0.0270 (15)0.0175 (15)0.0129 (13)0.0144 (14)
C26B0.0290 (15)0.063 (2)0.0182 (13)0.0102 (14)0.0052 (11)0.0006 (13)
C27B0.0211 (13)0.0434 (17)0.0264 (14)0.0101 (12)0.0004 (11)0.0103 (12)
C28B0.0184 (11)0.0267 (13)0.0220 (12)0.0051 (10)0.0012 (9)0.0053 (10)
C29B0.0149 (10)0.0142 (10)0.0168 (11)0.0006 (8)0.0016 (8)0.0005 (8)
C30B0.0163 (11)0.0209 (12)0.0244 (12)0.0025 (9)0.0006 (9)0.0055 (10)
C31B0.0130 (11)0.0301 (14)0.0318 (14)0.0032 (10)0.0045 (10)0.0066 (11)
C32B0.0194 (12)0.0231 (12)0.0269 (13)0.0013 (10)0.0065 (10)0.0034 (10)
C33B0.0218 (12)0.0205 (12)0.0233 (12)0.0023 (10)0.0003 (9)0.0067 (10)
C34B0.0145 (11)0.0175 (11)0.0227 (12)0.0003 (9)0.0018 (9)0.0042 (9)
O10A0.0228 (9)0.0171 (8)0.0177 (8)0.0065 (7)0.0070 (7)0.0077 (7)
C2A0.042 (3)0.033 (3)0.015 (2)0.006 (3)0.004 (2)0.0041 (19)
C1A0.033 (3)0.035 (3)0.021 (2)0.013 (2)0.012 (2)0.012 (2)
C1'A0.030 (4)0.020 (3)0.015 (3)0.009 (3)0.001 (3)0.002 (2)
C2'A0.035 (4)0.046 (5)0.022 (4)0.011 (4)0.010 (3)0.010 (3)
O1S0.0245 (9)0.0259 (9)0.0203 (9)0.0052 (7)0.0026 (7)0.0005 (7)
C1S0.0244 (13)0.0349 (15)0.0264 (14)0.0024 (11)0.0076 (11)0.0033 (12)
O2S0.0333 (11)0.0353 (11)0.0266 (10)0.0071 (9)0.0022 (8)0.0042 (9)
C2S0.0369 (16)0.0488 (19)0.0274 (15)0.0087 (14)0.0049 (13)0.0074 (14)
C3S0.035 (6)0.033 (7)0.030 (5)0.001 (5)0.006 (5)0.010 (4)
C4S0.036 (5)0.073 (8)0.042 (6)0.000 (5)0.012 (4)0.001 (5)
C4'S0.050 (7)0.036 (5)0.032 (6)0.003 (5)0.011 (5)0.009 (4)
C3'S0.040 (8)0.022 (6)0.020 (5)0.007 (5)0.003 (6)0.001 (4)
C4RS0.067 (13)0.061 (13)0.024 (9)0.004 (11)0.000 (9)0.004 (9)
C3RS0.063 (14)0.037 (11)0.029 (10)0.004 (10)0.008 (9)0.025 (8)
Geometric parameters (Å, º) top
Eu1A—O11A2.3721 (16)O8B—N3B1.274 (2)
Eu1A—O12A2.3945 (16)O9B—N3B1.241 (2)
Eu1A—O10A2.4391 (16)O10B—C1B1.453 (3)
Eu1A—O2A2.4859 (17)O10B—H1OB0.8002
Eu1A—O8A2.5163 (16)O13B—C5B1.355 (3)
Eu1A—O5A2.5214 (17)O13B—N4B1.411 (2)
Eu1A—O1A2.5386 (16)O14B—C9B1.360 (3)
Eu1A—O4A2.5666 (17)O14B—N6B1.416 (2)
Eu1A—N4A2.6364 (19)N4B—C3B1.323 (3)
Eu1A—O7A2.6910 (17)N5B—C3B1.384 (3)
Eu1A—N1A2.9296 (19)N5B—H5B0.79 (3)
Eu1A—N2A2.958 (2)N6B—C7B1.312 (3)
P1A—O11A1.4949 (16)N7B—C7B1.383 (3)
P1A—N5A1.660 (2)N7B—H7B0.77 (3)
P1A—C17A1.786 (2)C1B—C2B1.509 (3)
P1A—C11A1.796 (2)C1B—H1BA0.9900
P2A—O12A1.4892 (17)C1B—H1BB0.9900
P2A—N7A1.661 (2)C2B—H2BA0.9800
P2A—C23A1.787 (2)C2B—H2BB0.9800
P2A—C29A1.794 (2)C2B—H2BC0.9800
O1A—N1A1.269 (3)C3B—C4B1.418 (3)
O2A—N1A1.273 (3)C4B—C5B1.351 (3)
O3A—N1A1.223 (3)C4B—H4BA0.9500
O4A—N2A1.272 (3)C5B—C6B1.487 (3)
O5A—N2A1.255 (3)C6B—H6BA0.9800
O6A—N2A1.231 (3)C6B—H6BB0.9800
O7A—N3A1.250 (2)C6B—H6BC0.9800
O8A—N3A1.274 (2)C7B—C8B1.419 (3)
O9A—N3A1.242 (2)C8B—C9B1.347 (4)
O13A—C5A1.353 (3)C8B—H8BA0.9500
O13A—N4A1.411 (2)C9B—C10B1.487 (4)
O14A—C9A1.360 (3)C10B—H10D0.9800
O14A—N6A1.413 (2)C10B—H10E0.9800
N4A—C3A1.320 (3)C10B—H10F0.9800
N5A—C3A1.382 (3)C11B—C12B1.396 (3)
N5A—H5A0.78 (3)C11B—C16B1.402 (3)
N6A—C7A1.311 (3)C12B—C13B1.390 (3)
N7A—C7A1.381 (3)C12B—H12B0.9500
N7A—H7A0.8453C13B—C14B1.392 (4)
C3A—C4A1.416 (3)C13B—H13B0.9500
C4A—C5A1.351 (3)C14B—C15B1.383 (4)
C4A—H4AA0.9500C14B—H14B0.9500
C5A—C6A1.482 (3)C15B—C16B1.390 (3)
C6A—H6AA0.9800C15B—H15B0.9500
C6A—H6AB0.9800C16B—H16B0.9500
C6A—H6AC0.9800C17B—C22B1.398 (3)
C7A—C8A1.421 (3)C17B—C18B1.399 (3)
C8A—C9A1.345 (4)C18B—C19B1.394 (3)
C8A—H8AA0.9500C18B—H18B0.9500
C9A—C10A1.488 (4)C19B—C20B1.387 (4)
C10A—H10A0.9800C19B—H19B0.9500
C10A—H10B0.9800C20B—C21B1.392 (4)
C10A—H10C0.9800C20B—H20B0.9500
C11A—C12A1.402 (3)C21B—C22B1.387 (3)
C11A—C16A1.403 (3)C21B—H21B0.9500
C12A—C13A1.394 (3)C22B—H22B0.9500
C12A—H12A0.9500C23B—C24B1.394 (4)
C13A—C14A1.389 (4)C23B—C28B1.397 (3)
C13A—H13A0.9500C24B—C25B1.398 (4)
C14A—C15A1.389 (4)C24B—H24B0.9500
C14A—H14A0.9500C25B—C26B1.381 (4)
C15A—C16A1.391 (3)C25B—H25B0.9500
C15A—H15A0.9500C26B—C27B1.377 (4)
C16A—H16A0.9500C26B—H26B0.9500
C17A—C18A1.394 (3)C27B—C28B1.388 (4)
C17A—C22A1.400 (3)C27B—H27B0.9500
C18A—C19A1.396 (3)C28B—H28B0.9500
C18A—H18A0.9500C29B—C30B1.394 (3)
C19A—C20A1.390 (3)C29B—C34B1.400 (3)
C19A—H19A0.9500C30B—C31B1.394 (3)
C20A—C21A1.386 (3)C30B—H30B0.9500
C20A—H20A0.9500C31B—C32B1.385 (4)
C21A—C22A1.384 (3)C31B—H31B0.9500
C21A—H21A0.9500C32B—C33B1.387 (4)
C22A—H22A0.9500C32B—H32B0.9500
C23A—C28A1.394 (3)C33B—C34B1.389 (3)
C23A—C24A1.400 (3)C33B—H33B0.9500
C24A—C25A1.385 (3)C34B—H34B0.9500
C24A—H24A0.9500O10A—C1'A1.360 (6)
C25A—C26A1.387 (4)O10A—C1A1.481 (5)
C25A—H25A0.9500O10A—H1OA0.8643
C26A—C27A1.387 (4)C2A—C1A1.480 (7)
C26A—H26A0.9500C2A—H2AA0.9800
C27A—C28A1.390 (4)C2A—H2AB0.9800
C27A—H27A0.9500C2A—H2AC0.9800
C28A—H28A0.9500C1A—H1AA0.9900
C29A—C30A1.388 (3)C1A—H1AB0.9900
C29A—C34A1.393 (4)C1'A—C2'A1.542 (11)
C30A—C31A1.393 (4)C1'A—H1'A0.9900
C30A—H30A0.9500C1'A—H1'B0.9900
C31A—C32A1.370 (4)C2'A—H2'A0.9800
C31A—H31A0.9500C2'A—H2'B0.9800
C32A—C33A1.387 (4)C2'A—H2'C0.9800
C32A—H32A0.9500O1S—C1S1.435 (3)
C33A—C34A1.387 (4)O1S—H1S0.8783
C33A—H33A0.9500C1S—C2S1.502 (4)
C34A—H34A0.9500C1S—H1SA0.9900
Eu1B—O11B2.3697 (15)C1S—H1SB0.9900
Eu1B—O12B2.3724 (15)O2S—C3S1.362 (13)
Eu1B—O10B2.4338 (16)O2S—C3'S1.529 (14)
Eu1B—O8B2.5027 (16)O2S—C3RS1.545 (13)
Eu1B—O2B2.5106 (17)O2S—H2S0.8249
Eu1B—O4B2.5353 (16)C2S—H2SA0.9800
Eu1B—O1B2.5449 (16)C2S—H2SB0.9800
Eu1B—O5B2.5755 (17)C2S—H2SC0.9800
Eu1B—N4B2.6716 (19)C3S—C4S1.477 (16)
Eu1B—O7B2.6839 (16)C3S—H3SA0.9900
Eu1B—N1B2.9494 (19)C3S—H3SB0.9900
Eu1B—N2B2.971 (2)C4S—H4SA0.9800
P1B—O11B1.4947 (16)C4S—H4SB0.9800
P1B—N5B1.657 (2)C4S—H4SC0.9800
P1B—C11B1.791 (2)C4'S—C3'S1.519 (18)
P1B—C17B1.795 (2)C4'S—H4'A0.9800
P2B—O12B1.4906 (16)C4'S—H4'B0.9800
P2B—N7B1.652 (2)C4'S—H4'C0.9800
P2B—C29B1.787 (2)C3'S—H3'A0.9900
P2B—C23B1.797 (2)C3'S—H3'B0.9900
O1B—N1B1.272 (3)C4RS—C3RS1.42 (2)
O2B—N1B1.274 (3)C4RS—H4RA0.9800
O3B—N1B1.223 (2)C4RS—H4RB0.9800
O4B—N2B1.259 (3)C4RS—H4RC0.9800
O5B—N2B1.274 (3)C3RS—H3RA0.9900
O6B—N2B1.230 (3)C3RS—H3RB0.9900
O7B—N3B1.254 (2)
O11A—Eu1A—O12A141.18 (5)O4B—Eu1B—O7B64.79 (5)
O11A—Eu1A—O10A81.84 (6)O1B—Eu1B—O7B158.77 (5)
O12A—Eu1A—O10A71.96 (5)O5B—Eu1B—O7B101.28 (5)
O11A—Eu1A—O2A76.48 (6)N4B—Eu1B—O7B124.38 (5)
O12A—Eu1A—O2A121.12 (6)O11B—Eu1B—N1B96.30 (5)
O10A—Eu1A—O2A156.43 (6)O12B—Eu1B—N1B94.65 (6)
O11A—Eu1A—O8A72.67 (5)O10B—Eu1B—N1B153.59 (5)
O12A—Eu1A—O8A145.02 (5)O8B—Eu1B—N1B85.75 (5)
O10A—Eu1A—O8A116.88 (5)O2B—Eu1B—N1B25.40 (5)
O2A—Eu1A—O8A65.13 (5)O4B—Eu1B—N1B116.17 (5)
O11A—Eu1A—O5A130.63 (6)O1B—Eu1B—N1B25.43 (5)
O12A—Eu1A—O5A75.88 (6)O5B—Eu1B—N1B66.29 (5)
O10A—Eu1A—O5A85.07 (6)N4B—Eu1B—N1B81.74 (5)
O2A—Eu1A—O5A116.19 (6)O7B—Eu1B—N1B134.30 (5)
O8A—Eu1A—O5A71.60 (5)O11B—Eu1B—N2B145.42 (5)
O11A—Eu1A—O1A110.96 (6)O12B—Eu1B—N2B70.41 (5)
O12A—Eu1A—O1A70.88 (6)O10B—Eu1B—N2B104.44 (6)
O10A—Eu1A—O1A132.55 (6)O8B—Eu1B—N2B74.76 (5)
O2A—Eu1A—O1A50.88 (6)O2B—Eu1B—N2B98.05 (6)
O8A—Eu1A—O1A110.51 (5)O4B—Eu1B—N2B24.86 (5)
O5A—Eu1A—O1A112.81 (6)O1B—Eu1B—N2B89.52 (6)
O11A—Eu1A—O4A140.93 (6)O5B—Eu1B—N2B25.29 (5)
O12A—Eu1A—O4A76.82 (6)N4B—Eu1B—N2B145.39 (6)
O10A—Eu1A—O4A130.58 (6)O7B—Eu1B—N2B83.99 (5)
O2A—Eu1A—O4A72.99 (6)N1B—Eu1B—N2B91.58 (6)
O8A—Eu1A—O4A72.69 (6)O11B—P1B—N5B112.58 (10)
O5A—Eu1A—O4A50.25 (6)O11B—P1B—C11B112.54 (10)
O1A—Eu1A—O4A66.04 (6)N5B—P1B—C11B102.81 (10)
O11A—Eu1A—N4A69.64 (6)O11B—P1B—C17B109.66 (10)
O12A—Eu1A—N4A75.67 (6)N5B—P1B—C17B106.79 (10)
O10A—Eu1A—N4A73.54 (6)C11B—P1B—C17B112.20 (10)
O2A—Eu1A—N4A90.14 (6)O12B—P2B—N7B115.74 (10)
O8A—Eu1A—N4A138.80 (6)O12B—P2B—C29B112.29 (10)
O5A—Eu1A—N4A148.52 (6)N7B—P2B—C29B100.56 (11)
O1A—Eu1A—N4A69.52 (6)O12B—P2B—C23B111.16 (10)
O4A—Eu1A—N4A133.23 (6)N7B—P2B—C23B106.22 (11)
O11A—Eu1A—O7A66.50 (5)C29B—P2B—C23B110.25 (11)
O12A—Eu1A—O7A124.74 (5)N1B—O1B—Eu1B95.36 (12)
O10A—Eu1A—O7A67.95 (5)N1B—O2B—Eu1B96.92 (13)
O2A—Eu1A—O7A110.55 (5)N2B—O4B—Eu1B97.32 (13)
O8A—Eu1A—O7A48.97 (5)N2B—O5B—Eu1B94.99 (13)
O5A—Eu1A—O7A64.44 (5)N3B—O7B—Eu1B91.32 (12)
O1A—Eu1A—O7A159.47 (5)N3B—O8B—Eu1B99.44 (12)
O4A—Eu1A—O7A102.41 (5)C1B—O10B—Eu1B141.05 (14)
N4A—Eu1A—O7A124.34 (5)C1B—O10B—H1OB103.9
O11A—Eu1A—N1A95.76 (6)Eu1B—O10B—H1OB112.2
O12A—Eu1A—N1A95.64 (6)P1B—O11B—Eu1B137.77 (9)
O10A—Eu1A—N1A153.89 (6)P2B—O12B—Eu1B170.49 (10)
O2A—Eu1A—N1A25.54 (6)C5B—O13B—N4B108.27 (17)
O8A—Eu1A—N1A86.64 (5)C9B—O14B—N6B108.12 (18)
O5A—Eu1A—N1A114.79 (6)O3B—N1B—O1B122.0 (2)
O1A—Eu1A—N1A25.58 (6)O3B—N1B—O2B122.0 (2)
O4A—Eu1A—N1A64.73 (6)O1B—N1B—O2B116.01 (18)
N4A—Eu1A—N1A81.23 (6)O3B—N1B—Eu1B170.39 (15)
O7A—Eu1A—N1A134.80 (5)O1B—N1B—Eu1B59.21 (10)
O11A—Eu1A—N2A142.72 (6)O2B—N1B—Eu1B57.67 (11)
O12A—Eu1A—N2A74.12 (6)O6B—N2B—O4B122.1 (2)
O10A—Eu1A—N2A107.62 (6)O6B—N2B—O5B120.9 (2)
O2A—Eu1A—N2A95.31 (6)O4B—N2B—O5B116.93 (19)
O8A—Eu1A—N2A70.97 (6)O6B—N2B—Eu1B172.43 (17)
O5A—Eu1A—N2A24.89 (6)O4B—N2B—Eu1B57.82 (11)
O1A—Eu1A—N2A89.38 (6)O5B—N2B—Eu1B59.72 (11)
O4A—Eu1A—N2A25.38 (6)O9B—N3B—O7B121.79 (19)
N4A—Eu1A—N2A147.51 (6)O9B—N3B—O8B120.51 (19)
O7A—Eu1A—N2A83.43 (6)O7B—N3B—O8B117.70 (18)
N1A—Eu1A—N2A90.07 (6)O9B—N3B—Eu1B165.24 (16)
O11A—P1A—N5A112.30 (10)O7B—N3B—Eu1B63.87 (11)
O11A—P1A—C17A112.52 (10)O8B—N3B—Eu1B55.70 (10)
N5A—P1A—C17A102.32 (10)C3B—N4B—O13B105.14 (17)
O11A—P1A—C11A109.60 (10)C3B—N4B—Eu1B131.15 (14)
N5A—P1A—C11A106.70 (11)O13B—N4B—Eu1B121.61 (12)
C17A—P1A—C11A113.12 (11)C3B—N5B—P1B119.55 (16)
O12A—P2A—N7A115.67 (10)C3B—N5B—H5B118 (2)
O12A—P2A—C23A113.52 (10)P1B—N5B—H5B120 (2)
N7A—P2A—C23A100.11 (10)C7B—N6B—O14B104.85 (18)
O12A—P2A—C29A111.60 (10)C7B—N7B—P2B124.75 (17)
N7A—P2A—C29A107.59 (11)C7B—N7B—H7B114 (2)
C23A—P2A—C29A107.47 (11)P2B—N7B—H7B121 (2)
N1A—O1A—Eu1A94.70 (12)O10B—C1B—C2B111.2 (2)
N1A—O2A—Eu1A97.10 (13)O10B—C1B—H1BA109.4
N2A—O4A—Eu1A94.76 (13)C2B—C1B—H1BA109.4
N2A—O5A—Eu1A97.40 (13)O10B—C1B—H1BB109.4
N3A—O7A—Eu1A92.04 (12)C2B—C1B—H1BB109.4
N3A—O8A—Eu1A99.78 (12)H1BA—C1B—H1BB108.0
P1A—O11A—Eu1A137.82 (10)C1B—C2B—H2BA109.5
P2A—O12A—Eu1A170.64 (10)C1B—C2B—H2BB109.5
C5A—O13A—N4A108.42 (17)H2BA—C2B—H2BB109.5
C9A—O14A—N6A107.98 (18)C1B—C2B—H2BC109.5
O3A—N1A—O1A122.3 (2)H2BA—C2B—H2BC109.5
O3A—N1A—O2A121.5 (2)H2BB—C2B—H2BC109.5
O1A—N1A—O2A116.27 (18)N4B—C3B—N5B120.0 (2)
O3A—N1A—Eu1A170.83 (16)N4B—C3B—C4B112.0 (2)
O1A—N1A—Eu1A59.72 (11)N5B—C3B—C4B128.0 (2)
O2A—N1A—Eu1A57.35 (11)C5B—C4B—C3B103.9 (2)
O6A—N2A—O5A121.4 (2)C5B—C4B—H4BA128.0
O6A—N2A—O4A121.1 (2)C3B—C4B—H4BA128.0
O5A—N2A—O4A117.48 (19)C4B—C5B—O13B110.6 (2)
O6A—N2A—Eu1A176.62 (18)C4B—C5B—C6B133.4 (2)
O5A—N2A—Eu1A57.71 (11)O13B—C5B—C6B115.9 (2)
O4A—N2A—Eu1A59.85 (11)C5B—C6B—H6BA109.5
O9A—N3A—O7A121.84 (19)C5B—C6B—H6BB109.5
O9A—N3A—O8A120.14 (18)H6BA—C6B—H6BB109.5
O7A—N3A—O8A118.02 (18)C5B—C6B—H6BC109.5
O9A—N3A—Eu1A168.84 (15)H6BA—C6B—H6BC109.5
O7A—N3A—Eu1A63.41 (11)H6BB—C6B—H6BC109.5
O8A—N3A—Eu1A55.54 (10)N6B—C7B—N7B120.6 (2)
C3A—N4A—O13A105.04 (17)N6B—C7B—C8B112.7 (2)
C3A—N4A—Eu1A132.72 (15)N7B—C7B—C8B126.7 (2)
O13A—N4A—Eu1A119.32 (12)C9B—C8B—C7B103.7 (2)
C3A—N5A—P1A120.00 (16)C9B—C8B—H8BA128.1
C3A—N5A—H5A118 (2)C7B—C8B—H8BA128.1
P1A—N5A—H5A119 (2)C8B—C9B—O14B110.6 (2)
C7A—N6A—O14A105.29 (18)C8B—C9B—C10B134.0 (3)
C7A—N7A—P2A125.80 (16)O14B—C9B—C10B115.4 (2)
C7A—N7A—H7A117.0C9B—C10B—H10D109.5
P2A—N7A—H7A117.1C9B—C10B—H10E109.5
N4A—C3A—N5A119.8 (2)H10D—C10B—H10E109.5
N4A—C3A—C4A112.1 (2)C9B—C10B—H10F109.5
N5A—C3A—C4A128.1 (2)H10D—C10B—H10F109.5
C5A—C4A—C3A104.1 (2)H10E—C10B—H10F109.5
C5A—C4A—H4AA128.0C12B—C11B—C16B119.9 (2)
C3A—C4A—H4AA128.0C12B—C11B—P1B122.55 (18)
C4A—C5A—O13A110.4 (2)C16B—C11B—P1B117.43 (17)
C4A—C5A—C6A133.8 (2)C13B—C12B—C11B119.8 (2)
O13A—C5A—C6A115.8 (2)C13B—C12B—H12B120.1
C5A—C6A—H6AA109.5C11B—C12B—H12B120.1
C5A—C6A—H6AB109.5C12B—C13B—C14B119.9 (2)
H6AA—C6A—H6AB109.5C12B—C13B—H13B120.0
C5A—C6A—H6AC109.5C14B—C13B—H13B120.0
H6AA—C6A—H6AC109.5C15B—C14B—C13B120.6 (2)
H6AB—C6A—H6AC109.5C15B—C14B—H14B119.7
N6A—C7A—N7A121.0 (2)C13B—C14B—H14B119.7
N6A—C7A—C8A112.3 (2)C14B—C15B—C16B119.9 (2)
N7A—C7A—C8A126.8 (2)C14B—C15B—H15B120.1
C9A—C8A—C7A104.0 (2)C16B—C15B—H15B120.1
C9A—C8A—H8AA128.0C15B—C16B—C11B119.9 (2)
C7A—C8A—H8AA128.0C15B—C16B—H16B120.1
C8A—C9A—O14A110.5 (2)C11B—C16B—H16B120.1
C8A—C9A—C10A134.2 (3)C22B—C17B—C18B119.8 (2)
O14A—C9A—C10A115.2 (2)C22B—C17B—P1B120.88 (17)
C9A—C10A—H10A109.5C18B—C17B—P1B119.33 (18)
C9A—C10A—H10B109.5C19B—C18B—C17B119.9 (2)
H10A—C10A—H10B109.5C19B—C18B—H18B120.1
C9A—C10A—H10C109.5C17B—C18B—H18B120.1
H10A—C10A—H10C109.5C20B—C19B—C18B120.1 (2)
H10B—C10A—H10C109.5C20B—C19B—H19B120.0
C12A—C11A—C16A119.9 (2)C18B—C19B—H19B120.0
C12A—C11A—P1A119.04 (18)C19B—C20B—C21B120.1 (2)
C16A—C11A—P1A121.04 (18)C19B—C20B—H20B120.0
C13A—C12A—C11A119.6 (2)C21B—C20B—H20B120.0
C13A—C12A—H12A120.2C22B—C21B—C20B120.3 (2)
C11A—C12A—H12A120.2C22B—C21B—H21B119.9
C14A—C13A—C12A120.3 (2)C20B—C21B—H21B119.9
C14A—C13A—H13A119.9C21B—C22B—C17B119.9 (2)
C12A—C13A—H13A119.9C21B—C22B—H22B120.0
C13A—C14A—C15A120.2 (2)C17B—C22B—H22B120.0
C13A—C14A—H14A119.9C24B—C23B—C28B119.5 (2)
C15A—C14A—H14A119.9C24B—C23B—P2B119.29 (19)
C14A—C15A—C16A120.3 (2)C28B—C23B—P2B121.24 (19)
C14A—C15A—H15A119.9C23B—C24B—C25B119.8 (3)
C16A—C15A—H15A119.9C23B—C24B—H24B120.1
C15A—C16A—C11A119.7 (2)C25B—C24B—H24B120.1
C15A—C16A—H16A120.1C26B—C25B—C24B120.1 (3)
C11A—C16A—H16A120.1C26B—C25B—H25B120.0
C18A—C17A—C22A120.1 (2)C24B—C25B—H25B120.0
C18A—C17A—P1A122.33 (18)C27B—C26B—C25B120.2 (3)
C22A—C17A—P1A117.36 (18)C27B—C26B—H26B119.9
C17A—C18A—C19A119.6 (2)C25B—C26B—H26B119.9
C17A—C18A—H18A120.2C26B—C27B—C28B120.5 (3)
C19A—C18A—H18A120.2C26B—C27B—H27B119.8
C20A—C19A—C18A120.0 (2)C28B—C27B—H27B119.8
C20A—C19A—H19A120.0C27B—C28B—C23B119.9 (3)
C18A—C19A—H19A120.0C27B—C28B—H28B120.0
C21A—C20A—C19A120.3 (2)C23B—C28B—H28B120.0
C21A—C20A—H20A119.9C30B—C29B—C34B120.2 (2)
C19A—C20A—H20A119.9C30B—C29B—P2B120.46 (18)
C22A—C21A—C20A120.3 (2)C34B—C29B—P2B119.05 (17)
C22A—C21A—H21A119.9C31B—C30B—C29B119.5 (2)
C20A—C21A—H21A119.9C31B—C30B—H30B120.3
C21A—C22A—C17A119.8 (2)C29B—C30B—H30B120.3
C21A—C22A—H22A120.1C32B—C31B—C30B120.1 (2)
C17A—C22A—H22A120.1C32B—C31B—H31B119.9
C28A—C23A—C24A120.4 (2)C30B—C31B—H31B119.9
C28A—C23A—P2A120.37 (18)C31B—C32B—C33B120.5 (2)
C24A—C23A—P2A119.09 (18)C31B—C32B—H32B119.8
C25A—C24A—C23A119.7 (2)C33B—C32B—H32B119.8
C25A—C24A—H24A120.1C32B—C33B—C34B120.0 (2)
C23A—C24A—H24A120.1C32B—C33B—H33B120.0
C24A—C25A—C26A120.0 (2)C34B—C33B—H33B120.0
C24A—C25A—H25A120.0C33B—C34B—C29B119.7 (2)
C26A—C25A—H25A120.0C33B—C34B—H34B120.2
C25A—C26A—C27A120.2 (2)C29B—C34B—H34B120.2
C25A—C26A—H26A119.9C1'A—O10A—C1A32.0 (3)
C27A—C26A—H26A119.9C1'A—O10A—Eu1A141.7 (3)
C26A—C27A—C28A120.6 (2)C1A—O10A—Eu1A137.6 (2)
C26A—C27A—H27A119.7C1'A—O10A—H1OA99.0
C28A—C27A—H27A119.7C1A—O10A—H1OA108.9
C27A—C28A—C23A119.1 (2)Eu1A—O10A—H1OA112.5
C27A—C28A—H28A120.5C2A—C1A—O10A113.4 (4)
C23A—C28A—H28A120.5C2A—C1A—H1AA108.9
C30A—C29A—C34A119.1 (2)O10A—C1A—H1AA108.9
C30A—C29A—P2A122.73 (19)C2A—C1A—H1AB108.9
C34A—C29A—P2A117.97 (19)O10A—C1A—H1AB108.9
C29A—C30A—C31A120.0 (2)H1AA—C1A—H1AB107.7
C29A—C30A—H30A120.0O10A—C1'A—C2'A111.4 (6)
C31A—C30A—H30A120.0O10A—C1'A—H1'A109.3
C32A—C31A—C30A120.7 (2)C2'A—C1'A—H1'A109.3
C32A—C31A—H31A119.6O10A—C1'A—H1'B109.3
C30A—C31A—H31A119.6C2'A—C1'A—H1'B109.3
C31A—C32A—C33A119.6 (3)H1'A—C1'A—H1'B108.0
C31A—C32A—H32A120.2C1'A—C2'A—H2'A109.5
C33A—C32A—H32A120.2C1'A—C2'A—H2'B109.5
C32A—C33A—C34A120.2 (3)H2'A—C2'A—H2'B109.5
C32A—C33A—H33A119.9C1'A—C2'A—H2'C109.5
C34A—C33A—H33A119.9H2'A—C2'A—H2'C109.5
C33A—C34A—C29A120.3 (3)H2'B—C2'A—H2'C109.5
C33A—C34A—H34A119.9C1S—O1S—H1S113.4
C29A—C34A—H34A119.9O1S—C1S—C2S108.9 (2)
O11B—Eu1B—O12B141.72 (5)O1S—C1S—H1SA109.9
O11B—Eu1B—O10B82.45 (5)C2S—C1S—H1SA109.9
O12B—Eu1B—O10B71.91 (5)O1S—C1S—H1SB109.9
O11B—Eu1B—O8B72.34 (5)C2S—C1S—H1SB109.9
O12B—Eu1B—O8B145.17 (5)H1SA—C1S—H1SB108.3
O10B—Eu1B—O8B118.42 (5)C3S—O2S—C3'S20.6 (5)
O11B—Eu1B—O2B77.04 (6)C3S—O2S—C3RS25.8 (7)
O12B—Eu1B—O2B119.99 (5)C3'S—O2S—C3RS37.0 (7)
O10B—Eu1B—O2B157.25 (6)C3S—O2S—H2S120.7
O8B—Eu1B—O2B64.30 (5)C3'S—O2S—H2S102.4
O11B—Eu1B—O4B131.30 (5)C3RS—O2S—H2S112.0
O12B—Eu1B—O4B73.76 (5)C1S—C2S—H2SA109.5
O10B—Eu1B—O4B82.58 (5)C1S—C2S—H2SB109.5
O8B—Eu1B—O4B74.90 (5)H2SA—C2S—H2SB109.5
O2B—Eu1B—O4B118.53 (6)C1S—C2S—H2SC109.5
O11B—Eu1B—O1B111.27 (5)H2SA—C2S—H2SC109.5
O12B—Eu1B—O1B70.12 (5)H2SB—C2S—H2SC109.5
O10B—Eu1B—O1B131.91 (5)O2S—C3S—C4S112.4 (10)
O8B—Eu1B—O1B109.63 (5)O2S—C3S—H3SA109.1
O2B—Eu1B—O1B50.58 (5)C4S—C3S—H3SA109.1
O4B—Eu1B—O1B113.17 (5)O2S—C3S—H3SB109.1
O11B—Eu1B—O5B142.71 (5)C4S—C3S—H3SB109.1
O12B—Eu1B—O5B74.73 (5)H3SA—C3S—H3SB107.8
O10B—Eu1B—O5B127.91 (6)C3'S—C4'S—H4'A109.5
O8B—Eu1B—O5B73.63 (5)C3'S—C4'S—H4'B109.5
O2B—Eu1B—O5B74.83 (6)H4'A—C4'S—H4'B109.5
O4B—Eu1B—O5B49.97 (5)C3'S—C4'S—H4'C109.5
O1B—Eu1B—O5B67.09 (5)H4'A—C4'S—H4'C109.5
O11B—Eu1B—N4B69.18 (5)H4'B—C4'S—H4'C109.5
O12B—Eu1B—N4B76.31 (6)C4'S—C3'S—O2S108.6 (9)
O10B—Eu1B—N4B73.12 (6)C4'S—C3'S—H3'A110.0
O8B—Eu1B—N4B137.73 (6)O2S—C3'S—H3'A110.0
O2B—Eu1B—N4B90.29 (6)C4'S—C3'S—H3'B110.0
O4B—Eu1B—N4B146.04 (6)O2S—C3'S—H3'B110.0
O1B—Eu1B—N4B70.11 (5)H3'A—C3'S—H3'B108.3
O5B—Eu1B—N4B134.25 (5)C4RS—C3RS—O2S113.0 (12)
O11B—Eu1B—O7B66.55 (5)C4RS—C3RS—H3RA109.0
O12B—Eu1B—O7B125.61 (5)O2S—C3RS—H3RA109.0
O10B—Eu1B—O7B69.32 (5)C4RS—C3RS—H3RB109.0
O8B—Eu1B—O7B49.16 (5)O2S—C3RS—H3RB109.0
O2B—Eu1B—O7B110.32 (5)H3RA—C3RS—H3RB107.8
O11A—Eu1A—O1A—N1A56.53 (14)O10B—Eu1B—O4B—N2B151.60 (13)
O12A—Eu1A—O1A—N1A164.86 (14)O8B—Eu1B—O4B—N2B86.25 (13)
O10A—Eu1A—O1A—N1A154.89 (12)O2B—Eu1B—O4B—N2B37.39 (14)
O2A—Eu1A—O1A—N1A5.90 (12)O1B—Eu1B—O4B—N2B19.00 (14)
O8A—Eu1A—O1A—N1A22.09 (14)O5B—Eu1B—O4B—N2B5.14 (12)
O5A—Eu1A—O1A—N1A100.07 (13)N4B—Eu1B—O4B—N2B107.46 (15)
O4A—Eu1A—O1A—N1A81.17 (13)O7B—Eu1B—O4B—N2B137.81 (14)
N4A—Eu1A—O1A—N1A113.78 (14)N1B—Eu1B—O4B—N2B8.85 (14)
O7A—Eu1A—O1A—N1A22.3 (2)O11B—Eu1B—O5B—N2B113.69 (14)
N2A—Eu1A—O1A—N1A91.46 (13)O12B—Eu1B—O5B—N2B76.36 (13)
O11A—Eu1A—O2A—N1A137.96 (14)O10B—Eu1B—O5B—N2B24.71 (15)
O12A—Eu1A—O2A—N1A4.31 (15)O8B—Eu1B—O5B—N2B88.86 (13)
O10A—Eu1A—O2A—N1A114.32 (17)O2B—Eu1B—O5B—N2B155.99 (14)
O8A—Eu1A—O2A—N1A145.12 (14)O4B—Eu1B—O5B—N2B5.06 (12)
O5A—Eu1A—O2A—N1A93.13 (13)O1B—Eu1B—O5B—N2B150.86 (14)
O1A—Eu1A—O2A—N1A5.90 (12)N4B—Eu1B—O5B—N2B128.89 (13)
O4A—Eu1A—O2A—N1A66.72 (13)O7B—Eu1B—O5B—N2B47.77 (13)
N4A—Eu1A—O2A—N1A68.97 (13)N1B—Eu1B—O5B—N2B178.58 (14)
O7A—Eu1A—O2A—N1A163.92 (12)O11B—Eu1B—O7B—N3B77.65 (12)
N2A—Eu1A—O2A—N1A78.95 (13)O12B—Eu1B—O7B—N3B144.47 (12)
O11A—Eu1A—O4A—N2A110.41 (14)O10B—Eu1B—O7B—N3B168.25 (13)
O12A—Eu1A—O4A—N2A80.68 (14)O8B—Eu1B—O7B—N3B8.79 (11)
O10A—Eu1A—O4A—N2A28.94 (16)O2B—Eu1B—O7B—N3B12.56 (13)
O2A—Eu1A—O4A—N2A150.51 (14)O4B—Eu1B—O7B—N3B100.31 (13)
O8A—Eu1A—O4A—N2A81.94 (14)O1B—Eu1B—O7B—N3B10.9 (2)
O5A—Eu1A—O4A—N2A1.79 (12)O5B—Eu1B—O7B—N3B65.27 (13)
O1A—Eu1A—O4A—N2A155.36 (15)N4B—Eu1B—O7B—N3B117.63 (12)
N4A—Eu1A—O4A—N2A135.99 (13)N1B—Eu1B—O7B—N3B2.50 (15)
O7A—Eu1A—O4A—N2A42.54 (14)N2B—Eu1B—O7B—N3B83.82 (12)
N1A—Eu1A—O4A—N2A176.49 (15)O11B—Eu1B—O8B—N3B65.15 (13)
O11A—Eu1A—O5A—N2A129.92 (13)O12B—Eu1B—O8B—N3B104.81 (14)
O12A—Eu1A—O5A—N2A82.64 (14)O10B—Eu1B—O8B—N3B5.63 (14)
O10A—Eu1A—O5A—N2A155.26 (14)O2B—Eu1B—O8B—N3B148.96 (14)
O2A—Eu1A—O5A—N2A35.41 (15)O4B—Eu1B—O8B—N3B78.29 (13)
O8A—Eu1A—O5A—N2A84.29 (14)O1B—Eu1B—O8B—N3B172.05 (12)
O1A—Eu1A—O5A—N2A20.82 (15)O5B—Eu1B—O8B—N3B130.33 (13)
O4A—Eu1A—O5A—N2A1.82 (12)N4B—Eu1B—O8B—N3B90.36 (14)
N4A—Eu1A—O5A—N2A108.54 (15)O7B—Eu1B—O8B—N3B8.77 (11)
O7A—Eu1A—O5A—N2A136.85 (14)N1B—Eu1B—O8B—N3B163.15 (13)
N1A—Eu1A—O5A—N2A7.10 (15)N2B—Eu1B—O8B—N3B104.05 (13)
O11A—Eu1A—O7A—N3A80.76 (12)O11B—Eu1B—O10B—C1B83.4 (2)
O12A—Eu1A—O7A—N3A142.15 (12)O12B—Eu1B—O10B—C1B125.4 (2)
O10A—Eu1A—O7A—N3A171.29 (14)O8B—Eu1B—O10B—C1B18.2 (2)
O2A—Eu1A—O7A—N3A16.56 (13)O2B—Eu1B—O10B—C1B109.1 (2)
O8A—Eu1A—O7A—N3A6.24 (11)O4B—Eu1B—O10B—C1B50.2 (2)
O5A—Eu1A—O7A—N3A93.50 (13)O1B—Eu1B—O10B—C1B164.7 (2)
O1A—Eu1A—O7A—N3A6.5 (2)O5B—Eu1B—O10B—C1B72.7 (2)
O4A—Eu1A—O7A—N3A59.70 (13)N4B—Eu1B—O10B—C1B153.8 (2)
N4A—Eu1A—O7A—N3A121.60 (12)O7B—Eu1B—O10B—C1B15.6 (2)
N1A—Eu1A—O7A—N3A6.87 (15)N1B—Eu1B—O10B—C1B172.3 (2)
N2A—Eu1A—O7A—N3A76.66 (12)N2B—Eu1B—O10B—C1B62.1 (2)
O11A—Eu1A—O8A—N3A67.41 (12)N5B—P1B—O11B—Eu1B9.39 (17)
O12A—Eu1A—O8A—N3A100.45 (14)C11B—P1B—O11B—Eu1B125.03 (14)
O10A—Eu1A—O8A—N3A3.63 (14)C17B—P1B—O11B—Eu1B109.34 (14)
O2A—Eu1A—O8A—N3A150.22 (14)O12B—Eu1B—O11B—P1B4.12 (19)
O5A—Eu1A—O8A—N3A77.96 (13)O10B—Eu1B—O11B—P1B51.78 (14)
O1A—Eu1A—O8A—N3A173.88 (12)O8B—Eu1B—O11B—P1B174.87 (15)
O4A—Eu1A—O8A—N3A130.93 (13)O2B—Eu1B—O11B—P1B118.31 (15)
N4A—Eu1A—O8A—N3A91.91 (14)O4B—Eu1B—O11B—P1B124.93 (13)
O7A—Eu1A—O8A—N3A6.21 (11)O1B—Eu1B—O11B—P1B80.39 (15)
N1A—Eu1A—O8A—N3A164.52 (13)O5B—Eu1B—O11B—P1B160.12 (11)
N2A—Eu1A—O8A—N3A104.25 (13)N4B—Eu1B—O11B—P1B22.97 (13)
N5A—P1A—O11A—Eu1A16.88 (18)O7B—Eu1B—O11B—P1B122.46 (15)
C17A—P1A—O11A—Eu1A131.69 (14)N1B—Eu1B—O11B—P1B101.64 (14)
C11A—P1A—O11A—Eu1A101.52 (15)N2B—Eu1B—O11B—P1B156.31 (12)
O12A—Eu1A—O11A—P1A12.0 (2)N7B—P2B—O12B—Eu1B50.1 (7)
O10A—Eu1A—O11A—P1A59.37 (15)C29B—P2B—O12B—Eu1B164.7 (6)
O2A—Eu1A—O11A—P1A111.31 (15)C23B—P2B—O12B—Eu1B71.2 (7)
O8A—Eu1A—O11A—P1A179.09 (16)O11B—Eu1B—O12B—P2B28.4 (7)
O5A—Eu1A—O11A—P1A135.63 (13)O10B—Eu1B—O12B—P2B22.1 (6)
O1A—Eu1A—O11A—P1A73.22 (15)O8B—Eu1B—O12B—P2B136.1 (6)
O4A—Eu1A—O11A—P1A150.62 (12)O2B—Eu1B—O12B—P2B136.6 (6)
N4A—Eu1A—O11A—P1A16.03 (14)O4B—Eu1B—O12B—P2B109.4 (6)
O7A—Eu1A—O11A—P1A128.81 (16)O1B—Eu1B—O12B—P2B127.8 (7)
N1A—Eu1A—O11A—P1A94.44 (15)O5B—Eu1B—O12B—P2B161.5 (7)
N2A—Eu1A—O11A—P1A167.83 (12)N4B—Eu1B—O12B—P2B54.3 (6)
N7A—P2A—O12A—Eu1A79.1 (7)O7B—Eu1B—O12B—P2B68.4 (7)
C23A—P2A—O12A—Eu1A166.0 (6)N1B—Eu1B—O12B—P2B134.7 (6)
C29A—P2A—O12A—Eu1A44.3 (7)N2B—Eu1B—O12B—P2B135.3 (7)
O11A—Eu1A—O12A—P2A60.9 (7)Eu1B—O1B—N1B—O3B168.83 (18)
O10A—Eu1A—O12A—P2A10.9 (6)Eu1B—O1B—N1B—O2B10.48 (19)
O2A—Eu1A—O12A—P2A169.2 (6)Eu1B—O2B—N1B—O3B168.65 (18)
O8A—Eu1A—O12A—P2A100.5 (6)Eu1B—O2B—N1B—O1B10.65 (19)
O5A—Eu1A—O12A—P2A78.5 (6)O11B—Eu1B—N1B—O3B131.7 (10)
O1A—Eu1A—O12A—P2A160.8 (7)O12B—Eu1B—N1B—O3B85.0 (10)
O4A—Eu1A—O12A—P2A130.3 (6)O10B—Eu1B—N1B—O3B142.6 (10)
N4A—Eu1A—O12A—P2A87.9 (6)O8B—Eu1B—N1B—O3B60.1 (10)
O7A—Eu1A—O12A—P2A34.2 (7)O2B—Eu1B—N1B—O3B91.0 (10)
N1A—Eu1A—O12A—P2A167.3 (6)O4B—Eu1B—N1B—O3B10.8 (10)
N2A—Eu1A—O12A—P2A104.2 (6)O1B—Eu1B—N1B—O3B100.1 (10)
Eu1A—O1A—N1A—O3A169.5 (2)O5B—Eu1B—N1B—O3B13.9 (10)
Eu1A—O1A—N1A—O2A10.0 (2)N4B—Eu1B—N1B—O3B160.4 (10)
Eu1A—O2A—N1A—O3A169.27 (19)O7B—Eu1B—N1B—O3B68.6 (10)
Eu1A—O2A—N1A—O1A10.3 (2)N2B—Eu1B—N1B—O3B14.5 (10)
O11A—Eu1A—N1A—O3A126.4 (11)O11B—Eu1B—N1B—O1B128.16 (12)
O12A—Eu1A—N1A—O3A90.8 (11)O12B—Eu1B—N1B—O1B15.10 (13)
O10A—Eu1A—N1A—O3A150.4 (11)O10B—Eu1B—N1B—O1B42.47 (19)
O2A—Eu1A—N1A—O3A85.5 (11)O8B—Eu1B—N1B—O1B160.16 (13)
O8A—Eu1A—N1A—O3A54.2 (11)O2B—Eu1B—N1B—O1B168.8 (2)
O5A—Eu1A—N1A—O3A13.8 (11)O4B—Eu1B—N1B—O1B89.28 (13)
O1A—Eu1A—N1A—O3A105.1 (11)O5B—Eu1B—N1B—O1B86.18 (13)
O4A—Eu1A—N1A—O3A18.2 (11)N4B—Eu1B—N1B—O1B60.32 (12)
N4A—Eu1A—N1A—O3A165.3 (11)O7B—Eu1B—N1B—O1B168.70 (11)
O7A—Eu1A—N1A—O3A64.1 (11)N2B—Eu1B—N1B—O1B85.57 (12)
N2A—Eu1A—N1A—O3A16.7 (11)O11B—Eu1B—N1B—O2B40.69 (13)
O11A—Eu1A—N1A—O1A128.47 (13)O12B—Eu1B—N1B—O2B176.05 (13)
O12A—Eu1A—N1A—O1A14.36 (13)O10B—Eu1B—N1B—O2B126.38 (15)
O10A—Eu1A—N1A—O1A45.3 (2)O8B—Eu1B—N1B—O2B30.99 (13)
O2A—Eu1A—N1A—O1A169.3 (2)O4B—Eu1B—N1B—O2B101.87 (13)
O8A—Eu1A—N1A—O1A159.34 (13)O1B—Eu1B—N1B—O2B168.8 (2)
O5A—Eu1A—N1A—O1A91.39 (13)O5B—Eu1B—N1B—O2B104.98 (14)
O4A—Eu1A—N1A—O1A86.91 (13)N4B—Eu1B—N1B—O2B108.52 (13)
N4A—Eu1A—N1A—O1A60.16 (13)O7B—Eu1B—N1B—O2B22.45 (16)
O7A—Eu1A—N1A—O1A169.21 (11)N2B—Eu1B—N1B—O2B105.58 (13)
N2A—Eu1A—N1A—O1A88.41 (13)Eu1B—O4B—N2B—O6B171.1 (2)
O11A—Eu1A—N1A—O2A40.87 (13)Eu1B—O4B—N2B—O5B8.9 (2)
O12A—Eu1A—N1A—O2A176.29 (13)Eu1B—O5B—N2B—O6B171.2 (2)
O10A—Eu1A—N1A—O2A124.09 (15)Eu1B—O5B—N2B—O4B8.8 (2)
O8A—Eu1A—N1A—O2A31.31 (13)O11B—Eu1B—N2B—O6B160.7 (13)
O5A—Eu1A—N1A—O2A99.26 (13)O12B—Eu1B—N2B—O6B1.4 (13)
O1A—Eu1A—N1A—O2A169.3 (2)O10B—Eu1B—N2B—O6B63.0 (13)
O4A—Eu1A—N1A—O2A103.75 (14)O8B—Eu1B—N2B—O6B179 (100)
N4A—Eu1A—N1A—O2A109.19 (14)O2B—Eu1B—N2B—O6B120.5 (13)
O7A—Eu1A—N1A—O2A21.45 (16)O4B—Eu1B—N2B—O6B92.1 (14)
N2A—Eu1A—N1A—O2A102.24 (13)O1B—Eu1B—N2B—O6B70.5 (13)
Eu1A—O5A—N2A—O6A176.1 (2)O5B—Eu1B—N2B—O6B97.1 (13)
Eu1A—O5A—N2A—O4A3.2 (2)N4B—Eu1B—N2B—O6B18.1 (14)
Eu1A—O4A—N2A—O6A176.2 (2)O7B—Eu1B—N2B—O6B129.8 (13)
Eu1A—O4A—N2A—O5A3.1 (2)N1B—Eu1B—N2B—O6B95.8 (13)
O11A—Eu1A—N2A—O6A150 (3)O11B—Eu1B—N2B—O4B68.58 (17)
O12A—Eu1A—N2A—O6A14 (3)O12B—Eu1B—N2B—O4B93.56 (13)
O10A—Eu1A—N2A—O6A50 (3)O10B—Eu1B—N2B—O4B29.15 (14)
O2A—Eu1A—N2A—O6A135 (3)O8B—Eu1B—N2B—O4B86.90 (13)
O8A—Eu1A—N2A—O6A163 (3)O2B—Eu1B—N2B—O4B147.40 (13)
O5A—Eu1A—N2A—O6A76 (3)O1B—Eu1B—N2B—O4B162.59 (13)
O1A—Eu1A—N2A—O6A85 (3)O5B—Eu1B—N2B—O4B170.8 (2)
O4A—Eu1A—N2A—O6A107 (3)N4B—Eu1B—N2B—O4B110.25 (14)
N4A—Eu1A—N2A—O6A36 (3)O7B—Eu1B—N2B—O4B37.66 (13)
O7A—Eu1A—N2A—O6A115 (3)N1B—Eu1B—N2B—O4B172.06 (13)
N1A—Eu1A—N2A—O6A110 (3)O11B—Eu1B—N2B—O5B102.18 (15)
O11A—Eu1A—N2A—O5A73.93 (16)O12B—Eu1B—N2B—O5B95.68 (13)
O12A—Eu1A—N2A—O5A90.59 (14)O10B—Eu1B—N2B—O5B160.09 (12)
O10A—Eu1A—N2A—O5A25.95 (14)O8B—Eu1B—N2B—O5B83.86 (13)
O2A—Eu1A—N2A—O5A148.52 (13)O2B—Eu1B—N2B—O5B23.36 (13)
O8A—Eu1A—N2A—O5A87.14 (14)O4B—Eu1B—N2B—O5B170.8 (2)
O1A—Eu1A—N2A—O5A160.87 (14)O1B—Eu1B—N2B—O5B26.65 (13)
O4A—Eu1A—N2A—O5A176.7 (2)N4B—Eu1B—N2B—O5B78.99 (16)
N4A—Eu1A—N2A—O5A112.82 (15)O7B—Eu1B—N2B—O5B133.10 (13)
O7A—Eu1A—N2A—O5A38.39 (13)N1B—Eu1B—N2B—O5B1.30 (13)
N1A—Eu1A—N2A—O5A173.56 (14)Eu1B—O7B—N3B—O9B164.39 (19)
O11A—Eu1A—N2A—O4A102.81 (15)Eu1B—O7B—N3B—O8B14.87 (19)
O12A—Eu1A—N2A—O4A92.67 (14)Eu1B—O8B—N3B—O9B163.07 (18)
O10A—Eu1A—N2A—O4A157.32 (13)Eu1B—O8B—N3B—O7B16.2 (2)
O2A—Eu1A—N2A—O4A28.21 (14)O11B—Eu1B—N3B—O9B25.4 (6)
O8A—Eu1A—N2A—O4A89.60 (14)O12B—Eu1B—N3B—O9B169.1 (6)
O5A—Eu1A—N2A—O4A176.7 (2)O10B—Eu1B—N3B—O9B105.2 (6)
O1A—Eu1A—N2A—O4A22.39 (14)O8B—Eu1B—N3B—O9B79.8 (6)
N4A—Eu1A—N2A—O4A70.45 (18)O2B—Eu1B—N3B—O9B52.0 (6)
O7A—Eu1A—N2A—O4A138.35 (14)O4B—Eu1B—N3B—O9B173.9 (6)
N1A—Eu1A—N2A—O4A3.18 (14)O1B—Eu1B—N3B—O9B69.3 (6)
Eu1A—O7A—N3A—O9A168.70 (19)O5B—Eu1B—N3B—O9B126.8 (6)
Eu1A—O7A—N3A—O8A10.57 (19)N4B—Eu1B—N3B—O9B34.7 (6)
Eu1A—O8A—N3A—O9A167.81 (17)O7B—Eu1B—N3B—O9B116.2 (6)
Eu1A—O8A—N3A—O7A11.5 (2)N1B—Eu1B—N3B—O9B61.9 (6)
O11A—Eu1A—N3A—O9A32.7 (8)N2B—Eu1B—N3B—O9B150.8 (6)
O12A—Eu1A—N3A—O9A175.7 (7)O11B—Eu1B—N3B—O7B90.71 (13)
O10A—Eu1A—N3A—O9A112.6 (8)O12B—Eu1B—N3B—O7B52.98 (16)
O2A—Eu1A—N3A—O9A43.8 (8)O10B—Eu1B—N3B—O7B11.00 (12)
O8A—Eu1A—N3A—O9A70.6 (8)O8B—Eu1B—N3B—O7B164.0 (2)
O5A—Eu1A—N3A—O9A163.6 (8)O2B—Eu1B—N3B—O7B168.20 (13)
O1A—Eu1A—N3A—O9A62.5 (8)O4B—Eu1B—N3B—O7B69.90 (12)
O4A—Eu1A—N3A—O9A116.8 (8)O1B—Eu1B—N3B—O7B174.50 (11)
N4A—Eu1A—N3A—O9A43.5 (8)O5B—Eu1B—N3B—O7B117.03 (12)
O7A—Eu1A—N3A—O9A120.7 (8)N4B—Eu1B—N3B—O7B81.41 (14)
N1A—Eu1A—N3A—O9A54.1 (8)N1B—Eu1B—N3B—O7B178.10 (12)
N2A—Eu1A—N3A—O9A139.8 (8)N2B—Eu1B—N3B—O7B93.08 (12)
O11A—Eu1A—N3A—O7A87.99 (13)O11B—Eu1B—N3B—O8B105.25 (13)
O12A—Eu1A—N3A—O7A54.97 (16)O12B—Eu1B—N3B—O8B111.06 (14)
O10A—Eu1A—N3A—O7A8.08 (13)O10B—Eu1B—N3B—O8B175.04 (13)
O2A—Eu1A—N3A—O7A164.49 (13)O2B—Eu1B—N3B—O8B27.76 (13)
O8A—Eu1A—N3A—O7A168.7 (2)O4B—Eu1B—N3B—O8B94.14 (13)
O5A—Eu1A—N3A—O7A75.71 (12)O1B—Eu1B—N3B—O8B10.47 (16)
O1A—Eu1A—N3A—O7A176.80 (11)O5B—Eu1B—N3B—O8B47.01 (13)
O4A—Eu1A—N3A—O7A122.51 (12)N4B—Eu1B—N3B—O8B114.55 (13)
N4A—Eu1A—N3A—O7A77.25 (14)O7B—Eu1B—N3B—O8B164.0 (2)
N1A—Eu1A—N3A—O7A174.80 (12)N1B—Eu1B—N3B—O8B17.86 (14)
N2A—Eu1A—N3A—O7A99.45 (13)N2B—Eu1B—N3B—O8B70.95 (13)
O11A—Eu1A—N3A—O8A103.33 (13)C5B—O13B—N4B—C3B1.3 (2)
O12A—Eu1A—N3A—O8A113.71 (13)C5B—O13B—N4B—Eu1B163.92 (14)
O10A—Eu1A—N3A—O8A176.76 (13)O11B—Eu1B—N4B—C3B42.21 (19)
O2A—Eu1A—N3A—O8A26.83 (13)O12B—Eu1B—N4B—C3B120.9 (2)
O5A—Eu1A—N3A—O8A92.97 (13)O10B—Eu1B—N4B—C3B45.98 (19)
O1A—Eu1A—N3A—O8A8.12 (16)O8B—Eu1B—N4B—C3B67.9 (2)
O4A—Eu1A—N3A—O8A46.17 (13)O2B—Eu1B—N4B—C3B118.21 (19)
N4A—Eu1A—N3A—O8A114.07 (13)O4B—Eu1B—N4B—C3B92.2 (2)
O7A—Eu1A—N3A—O8A168.7 (2)O1B—Eu1B—N4B—C3B165.6 (2)
N1A—Eu1A—N3A—O8A16.52 (14)O5B—Eu1B—N4B—C3B172.91 (17)
N2A—Eu1A—N3A—O8A69.22 (13)O7B—Eu1B—N4B—C3B3.1 (2)
C5A—O13A—N4A—C3A1.5 (2)N1B—Eu1B—N4B—C3B142.2 (2)
C5A—O13A—N4A—Eu1A161.54 (14)N2B—Eu1B—N4B—C3B137.08 (18)
O11A—Eu1A—N4A—C3A41.09 (19)O11B—Eu1B—N4B—O13B156.89 (16)
O12A—Eu1A—N4A—C3A121.2 (2)O12B—Eu1B—N4B—O13B39.99 (14)
O10A—Eu1A—N4A—C3A46.2 (2)O10B—Eu1B—N4B—O13B114.92 (15)
O2A—Eu1A—N4A—C3A116.6 (2)O8B—Eu1B—N4B—O13B131.16 (13)
O8A—Eu1A—N4A—C3A66.1 (2)O2B—Eu1B—N4B—O13B80.89 (15)
O5A—Eu1A—N4A—C3A95.3 (2)O4B—Eu1B—N4B—O13B68.73 (18)
O1A—Eu1A—N4A—C3A164.2 (2)O1B—Eu1B—N4B—O13B33.51 (14)
O4A—Eu1A—N4A—C3A176.94 (18)O5B—Eu1B—N4B—O13B12.01 (19)
O7A—Eu1A—N4A—C3A1.3 (2)O7B—Eu1B—N4B—O13B164.01 (13)
N1A—Eu1A—N4A—C3A140.6 (2)N1B—Eu1B—N4B—O13B56.89 (15)
N2A—Eu1A—N4A—C3A143.26 (18)N2B—Eu1B—N4B—O13B23.8 (2)
O11A—Eu1A—N4A—O13A161.43 (16)O11B—P1B—N5B—C3B54.7 (2)
O12A—Eu1A—N4A—O13A36.27 (14)C11B—P1B—N5B—C3B176.06 (17)
O10A—Eu1A—N4A—O13A111.33 (15)C17B—P1B—N5B—C3B65.69 (19)
O2A—Eu1A—N4A—O13A85.93 (14)C9B—O14B—N6B—C7B0.1 (3)
O8A—Eu1A—N4A—O13A136.46 (13)O12B—P2B—N7B—C7B64.1 (2)
O5A—Eu1A—N4A—O13A62.19 (19)C29B—P2B—N7B—C7B174.7 (2)
O1A—Eu1A—N4A—O13A38.34 (13)C23B—P2B—N7B—C7B59.8 (2)
O4A—Eu1A—N4A—O13A19.46 (18)Eu1B—O10B—C1B—C2B134.2 (2)
O7A—Eu1A—N4A—O13A158.80 (12)O13B—N4B—C3B—N5B177.42 (18)
N1A—Eu1A—N4A—O13A61.90 (14)Eu1B—N4B—C3B—N5B19.4 (3)
N2A—Eu1A—N4A—O13A14.2 (2)O13B—N4B—C3B—C4B1.4 (2)
O11A—P1A—N5A—C3A55.0 (2)Eu1B—N4B—C3B—C4B161.77 (15)
C17A—P1A—N5A—C3A175.90 (18)P1B—N5B—C3B—N4B38.9 (3)
C11A—P1A—N5A—C3A65.08 (19)P1B—N5B—C3B—C4B139.8 (2)
C9A—O14A—N6A—C7A0.0 (2)N4B—C3B—C4B—C5B1.1 (3)
O12A—P2A—N7A—C7A54.1 (2)N5B—C3B—C4B—C5B177.7 (2)
C23A—P2A—N7A—C7A176.5 (2)C3B—C4B—C5B—O13B0.2 (3)
C29A—P2A—N7A—C7A71.4 (2)C3B—C4B—C5B—C6B177.3 (3)
O13A—N4A—C3A—N5A178.07 (18)N4B—O13B—C5B—C4B0.7 (3)
Eu1A—N4A—C3A—N5A22.2 (3)N4B—O13B—C5B—C6B178.7 (2)
O13A—N4A—C3A—C4A1.5 (2)O14B—N6B—C7B—N7B179.0 (2)
Eu1A—N4A—C3A—C4A158.30 (16)O14B—N6B—C7B—C8B0.6 (3)
P1A—N5A—C3A—N4A35.4 (3)P2B—N7B—C7B—N6B15.5 (3)
P1A—N5A—C3A—C4A144.1 (2)P2B—N7B—C7B—C8B164.1 (2)
N4A—C3A—C4A—C5A0.9 (3)N6B—C7B—C8B—C9B1.1 (3)
N5A—C3A—C4A—C5A178.6 (2)N7B—C7B—C8B—C9B178.5 (3)
C3A—C4A—C5A—O13A0.2 (3)C7B—C8B—C9B—O14B1.1 (3)
C3A—C4A—C5A—C6A178.1 (3)C7B—C8B—C9B—C10B179.4 (4)
N4A—O13A—C5A—C4A1.0 (3)N6B—O14B—C9B—C8B0.8 (3)
N4A—O13A—C5A—C6A179.4 (2)N6B—O14B—C9B—C10B179.6 (3)
O14A—N6A—C7A—N7A177.9 (2)O11B—P1B—C11B—C12B159.02 (18)
O14A—N6A—C7A—C8A0.8 (3)N5B—P1B—C11B—C12B79.6 (2)
P2A—N7A—C7A—N6A6.2 (3)C17B—P1B—C11B—C12B34.8 (2)
P2A—N7A—C7A—C8A175.3 (2)O11B—P1B—C11B—C16B24.2 (2)
N6A—C7A—C8A—C9A1.3 (3)N5B—P1B—C11B—C16B97.18 (19)
N7A—C7A—C8A—C9A177.3 (2)C17B—P1B—C11B—C16B148.45 (18)
C7A—C8A—C9A—O14A1.3 (3)C16B—C11B—C12B—C13B0.0 (3)
C7A—C8A—C9A—C10A177.2 (3)P1B—C11B—C12B—C13B176.70 (18)
N6A—O14A—C9A—C8A0.9 (3)C11B—C12B—C13B—C14B0.2 (4)
N6A—O14A—C9A—C10A177.9 (2)C12B—C13B—C14B—C15B0.0 (4)
O11A—P1A—C11A—C12A18.1 (2)C13B—C14B—C15B—C16B0.4 (4)
N5A—P1A—C11A—C12A139.91 (18)C14B—C15B—C16B—C11B0.6 (4)
C17A—P1A—C11A—C12A108.36 (19)C12B—C11B—C16B—C15B0.4 (3)
O11A—P1A—C11A—C16A159.08 (18)P1B—C11B—C16B—C15B176.46 (18)
N5A—P1A—C11A—C16A37.3 (2)O11B—P1B—C17B—C22B158.95 (18)
C17A—P1A—C11A—C16A74.5 (2)N5B—P1B—C17B—C22B36.7 (2)
C16A—C11A—C12A—C13A0.8 (3)C11B—P1B—C17B—C22B75.2 (2)
P1A—C11A—C12A—C13A178.00 (18)O11B—P1B—C17B—C18B18.8 (2)
C11A—C12A—C13A—C14A0.5 (4)N5B—P1B—C17B—C18B141.03 (18)
C12A—C13A—C14A—C15A0.1 (4)C11B—P1B—C17B—C18B107.06 (19)
C13A—C14A—C15A—C16A0.4 (4)C22B—C17B—C18B—C19B0.8 (3)
C14A—C15A—C16A—C11A0.0 (4)P1B—C17B—C18B—C19B178.58 (18)
C12A—C11A—C16A—C15A0.5 (4)C17B—C18B—C19B—C20B0.3 (4)
P1A—C11A—C16A—C15A177.68 (18)C18B—C19B—C20B—C21B0.2 (4)
O11A—P1A—C17A—C18A162.75 (18)C19B—C20B—C21B—C22B0.2 (4)
N5A—P1A—C17A—C18A76.5 (2)C20B—C21B—C22B—C17B0.3 (4)
C11A—P1A—C17A—C18A37.9 (2)C18B—C17B—C22B—C21B0.8 (3)
O11A—P1A—C17A—C22A22.7 (2)P1B—C17B—C22B—C21B178.54 (18)
N5A—P1A—C17A—C22A98.0 (2)O12B—P2B—C23B—C24B32.4 (2)
C11A—P1A—C17A—C22A147.61 (18)N7B—P2B—C23B—C24B159.1 (2)
C22A—C17A—C18A—C19A1.1 (4)C29B—P2B—C23B—C24B92.8 (2)
P1A—C17A—C18A—C19A173.27 (19)O12B—P2B—C23B—C28B149.15 (19)
C17A—C18A—C19A—C20A0.1 (4)N7B—P2B—C23B—C28B22.4 (2)
C18A—C19A—C20A—C21A0.8 (4)C29B—P2B—C23B—C28B85.7 (2)
C19A—C20A—C21A—C22A0.6 (4)C28B—C23B—C24B—C25B1.2 (4)
C20A—C21A—C22A—C17A0.5 (4)P2B—C23B—C24B—C25B177.2 (2)
C18A—C17A—C22A—C21A1.3 (4)C23B—C24B—C25B—C26B0.5 (5)
P1A—C17A—C22A—C21A173.34 (19)C24B—C25B—C26B—C27B0.7 (5)
O12A—P2A—C23A—C28A12.6 (2)C25B—C26B—C27B—C28B1.2 (5)
N7A—P2A—C23A—C28A111.3 (2)C26B—C27B—C28B—C23B0.5 (4)
C29A—P2A—C23A—C28A136.5 (2)C24B—C23B—C28B—C27B0.7 (4)
O12A—P2A—C23A—C24A171.24 (18)P2B—C23B—C28B—C27B177.7 (2)
N7A—P2A—C23A—C24A64.9 (2)O12B—P2B—C29B—C30B168.31 (19)
C29A—P2A—C23A—C24A47.3 (2)N7B—P2B—C29B—C30B68.1 (2)
C28A—C23A—C24A—C25A1.0 (4)C23B—P2B—C29B—C30B43.8 (2)
P2A—C23A—C24A—C25A175.2 (2)O12B—P2B—C29B—C34B17.8 (2)
C23A—C24A—C25A—C26A0.3 (4)N7B—P2B—C29B—C34B105.8 (2)
C24A—C25A—C26A—C27A0.4 (4)C23B—P2B—C29B—C34B142.35 (19)
C25A—C26A—C27A—C28A0.4 (4)C34B—C29B—C30B—C31B1.6 (4)
C26A—C27A—C28A—C23A0.3 (4)P2B—C29B—C30B—C31B172.3 (2)
C24A—C23A—C28A—C27A1.0 (4)C29B—C30B—C31B—C32B0.5 (4)
P2A—C23A—C28A—C27A175.1 (2)C30B—C31B—C32B—C33B1.4 (4)
O12A—P2A—C29A—C30A141.29 (19)C31B—C32B—C33B—C34B2.2 (4)
N7A—P2A—C29A—C30A13.4 (2)C32B—C33B—C34B—C29B1.1 (4)
C23A—P2A—C29A—C30A93.6 (2)C30B—C29B—C34B—C33B0.8 (4)
O12A—P2A—C29A—C34A43.7 (2)P2B—C29B—C34B—C33B173.16 (19)
N7A—P2A—C29A—C34A171.6 (2)O11A—Eu1A—O10A—C1'A98.3 (6)
C23A—P2A—C29A—C34A81.4 (2)O12A—Eu1A—O10A—C1'A110.7 (6)
C34A—C29A—C30A—C31A0.3 (4)O2A—Eu1A—O10A—C1'A121.5 (6)
P2A—C29A—C30A—C31A175.22 (19)O8A—Eu1A—O10A—C1'A32.5 (6)
C29A—C30A—C31A—C32A0.3 (4)O5A—Eu1A—O10A—C1'A34.0 (6)
C30A—C31A—C32A—C33A0.0 (5)O1A—Eu1A—O10A—C1'A150.7 (6)
C31A—C32A—C33A—C34A0.2 (6)O4A—Eu1A—O10A—C1'A57.2 (6)
C32A—C33A—C34A—C29A0.2 (6)N4A—Eu1A—O10A—C1'A169.4 (6)
C30A—C29A—C34A—C33A0.0 (5)O7A—Eu1A—O10A—C1'A30.4 (6)
P2A—C29A—C34A—C33A175.2 (3)N1A—Eu1A—O10A—C1'A175.2 (6)
O11B—Eu1B—O1B—N1B57.00 (13)N2A—Eu1A—O10A—C1'A44.6 (6)
O12B—Eu1B—O1B—N1B163.97 (13)O11A—Eu1A—O10A—C1A48.2 (4)
O10B—Eu1B—O1B—N1B156.20 (11)O12A—Eu1A—O10A—C1A160.8 (4)
O8B—Eu1B—O1B—N1B21.06 (13)O2A—Eu1A—O10A—C1A71.4 (4)
O2B—Eu1B—O1B—N1B6.17 (11)O8A—Eu1A—O10A—C1A17.6 (4)
O4B—Eu1B—O1B—N1B102.54 (12)O5A—Eu1A—O10A—C1A84.1 (4)
O5B—Eu1B—O1B—N1B82.67 (13)O1A—Eu1A—O10A—C1A159.3 (4)
N4B—Eu1B—O1B—N1B113.89 (13)O4A—Eu1A—O10A—C1A107.3 (4)
O7B—Eu1B—O1B—N1B22.8 (2)N4A—Eu1A—O10A—C1A119.3 (4)
N2B—Eu1B—O1B—N1B94.68 (12)O7A—Eu1A—O10A—C1A19.7 (4)
O11B—Eu1B—O2B—N1B138.32 (13)N1A—Eu1A—O10A—C1A134.7 (4)
O12B—Eu1B—O2B—N1B4.54 (15)N2A—Eu1A—O10A—C1A94.7 (4)
O10B—Eu1B—O2B—N1B112.15 (16)C1'A—O10A—C1A—C2A47.7 (6)
O8B—Eu1B—O2B—N1B145.26 (14)Eu1A—O10A—C1A—C2A164.0 (3)
O4B—Eu1B—O2B—N1B91.46 (13)C1A—O10A—C1'A—C2'A42.4 (7)
O1B—Eu1B—O2B—N1B6.17 (11)Eu1A—O10A—C1'A—C2'A145.3 (4)
O5B—Eu1B—O2B—N1B66.41 (13)C3'S—O2S—C3S—C4S61 (3)
N4B—Eu1B—O2B—N1B69.78 (13)C3RS—O2S—C3S—C4S45.8 (17)
O7B—Eu1B—O2B—N1B163.06 (12)C3S—O2S—C3'S—C4'S57 (3)
N2B—Eu1B—O2B—N1B76.52 (13)C3RS—O2S—C3'S—C4'S12.7 (10)
O11B—Eu1B—O4B—N2B135.31 (12)C3S—O2S—C3RS—C4RS37.0 (16)
O12B—Eu1B—O4B—N2B78.34 (13)C3'S—O2S—C3RS—C4RS2.9 (14)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1S—H1S···O5Bi0.882.122.941 (3)155
O1S—H1S···O6Bi0.882.373.145 (3)148
O2S—H2S···O4Aii0.822.473.252 (3)159
O2S—H2S···O6Aii0.822.312.997 (3)142
N5A—H5A···O9Bi0.78 (3)2.12 (3)2.883 (3)168 (3)
N5B—H5B···O9Aii0.79 (3)2.07 (3)2.855 (3)174 (3)
N7A—H7A···O1Siii0.842.022.842 (3)163
N7B—H7B···O2Siii0.77 (3)2.07 (3)2.822 (3)169 (3)
O10B—H1OB···N6B0.802.052.841 (2)170
O10A—H1OA···N6A0.861.912.775 (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 formulaC14H15N4O4PC34H36CeN7O14P2·C2H6OC34H36EuN7O14P2·C2H6O
Mr334.271014.831026.67
Crystal system, space groupTriclinic, P1Monoclinic, P21/nMonoclinic, P21/n
Temperature (K)100100100
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), 9090, 96.168 (1), 90
V3)1511.4 (5)8659.1 (5)8575.6 (5)
Z488
Radiation typeMo KαMo KαMo Kα
µ (mm1)0.211.201.61
Crystal size (mm)0.33 × 0.13 × 0.070.17 × 0.12 × 0.100.17 × 0.12 × 0.10
Data collection
DiffractometerBruker APEX II CCD area detector
diffractometer
Bruker APEX-II CCD
diffractometer
Bruker APEX II CCD area detector'
diffractometer
Absorption correctionMulti-scan
TWINABS
Multi-scan
SADABS (Sheldrick, 2003)
Multi-scan
SADABS (Sheldrick, 2003)
Tmin, Tmax0.934, 0.9860.741, 0.8890.771, 0.855
No. of measured, independent and
observed [I > 2σ(I)] reflections
7171, 7171, 4896 98260, 20861, 14486 104605, 22773, 18894
Rint0.0650.0810.036
(sin θ/λ)max1)0.6610.6610.682
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 reflections71712086122773
No. of parameters42311571176
No. of restraints1200
H-atom treatmentH-atom parameters constrainedH atoms treated by a mixture of independent and constrained refinementH 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 Å3)1.16, 0.651.08, 1.340.93, 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.

Hydrogen-bond geometry (Å, º) for (IGCN) top
D—H···AD—HH···AD···AD—H···A
N5A—H5A···O9Bi0.80 (5)2.13 (5)2.914 (4)168 (5)
N5B—H5B···O9A0.87 (5)2.01 (5)2.877 (4)173 (6)
N7A—H7A···O1S0.79 (4)2.07 (5)2.838 (5)165 (5)
N7B—H7B···O2S0.76 (5)2.08 (5)2.830 (5)167 (5)
O10A—H10V···N6A0.73 (6)2.06 (6)2.786 (4)179 (9)
O10B—H10W···N6B0.71 (5)2.15 (5)2.858 (4)170 (5)
O1S—H1S···O5Bii0.82 (6)2.14 (6)2.919 (4)161 (5)
O1S—H1S···O6Bii0.82 (6)2.51 (6)3.166 (5)138 (5)
O2S—H2S···O4Aiii0.82 (6)2.43 (6)3.209 (5)159 (6)
O2S—H2S···O6Aiii0.82 (6)2.33 (6)2.983 (6)137 (5)
Symmetry codes: (i) x, y1, z; (ii) x1, y1, z; (iii) x+1, y, z.
Hydrogen-bond geometry (Å, º) for (IGE) top
D—H···AD—HH···AD···AD—H···A
O1S—H1S···O5Bi0.882.122.941 (3)155
O1S—H1S···O6Bi0.882.373.145 (3)148
O2S—H2S···O4Aii0.822.473.252 (3)159
O2S—H2S···O6Aii0.822.312.997 (3)142
N5A—H5A···O9Bi0.78 (3)2.12 (3)2.883 (3)168 (3)
N5B—H5B···O9Aii0.79 (3)2.07 (3)2.855 (3)174 (3)
N7A—H7A···O1Siii0.842.022.842 (3)163
N7B—H7B···O2Siii0.77 (3)2.07 (3)2.822 (3)169 (3)
O10B—H1OB···N6B0.802.052.841 (2)170
O10A—H1OA···N6A0.861.912.775 (3)174
Symmetry codes: (i) x+1, y+2, z+1; (ii) x+1, y+1, z+1; (iii) x+1, y, z.
 

Follow Acta Cryst. B
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds