Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805016193/hk6011sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805016193/hk6011Isup2.hkl |
CCDC reference: 274437
Key indicators
- Single-crystal X-ray study
- T = 173 K
- Mean (C-C) = 0.009 Å
- Disorder in main residue
- R factor = 0.041
- wR factor = 0.103
- Data-to-parameter ratio = 14.4
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.92 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si11 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si21 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C13 PLAT301_ALERT_3_C Main Residue Disorder ......................... 5.00 Perc. PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9
Alert level G REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure From the CIF: _diffrn_reflns_theta_max 28.00 From the CIF: _reflns_number_total 7081 Count of symmetry unique reflns 6017 Completeness (_total/calc) 117.68% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1064 Fraction of Friedel pairs measured 0.177 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: P3 (Siemens, 1989); cell refinement: P3; data reduction: XDISK (Siemens, 1989); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 1998); software used to prepare material for publication: SHELXTL.
[Ce(C12H14F3O2)2(C6H18NSi2)(C6H15N3)] | F(000) = 1908 |
Mr = 924.19 | Dx = 1.367 Mg m−3 |
Orthorhombic, P212121 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2ac 2ab | Cell parameters from 42 reflections |
a = 10.170 (3) Å | θ = 7.1–12.5° |
b = 14.934 (4) Å | µ = 1.13 mm−1 |
c = 29.568 (8) Å | T = 173 K |
V = 4491 (2) Å3 | Prism, orange-brown |
Z = 4 | 0.50 × 0.45 × 0.35 mm |
Rebuilt Syntex P21/Siemens P3 four-circle diffractometer | 6138 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.023 |
Graphite monochromator | θmax = 28.0°, θmin = 1.5° |
Wyckoff scans | h = −1→13 |
Absorption correction: ψ scan (North et al., 1968) | k = −1→19 |
Tmin = 0.574, Tmax = 0.673 | l = −1→39 |
7383 measured reflections | 2 standard reflections every 298 reflections |
7081 independent reflections | intensity decay: 0.3% |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.041 | Only H-atom displacement parameters refined |
wR(F2) = 0.103 | w = 1/[σ2(Fo2) + (0.0426P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.47 | (Δ/σ)max < 0.001 |
7081 reflections | Δρmax = 1.38 e Å−3 |
491 parameters | Δρmin = −0.88 e Å−3 |
15 restraints | Absolute structure: Flack (1983), with 1079 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: −0.013 (17) |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ce | 0.68342 (2) | 0.49854 (2) | 0.114223 (8) | 0.02158 (7) | |
N1 | 0.8005 (5) | 0.3693 (3) | 0.08492 (15) | 0.0280 (9) | |
O1 | 0.8675 (3) | 0.5092 (3) | 0.16548 (11) | 0.0311 (9) | |
O2 | 0.5950 (3) | 0.5125 (3) | 0.19208 (12) | 0.0282 (8) | |
O3 | 0.7294 (4) | 0.5892 (3) | 0.04848 (13) | 0.0315 (9) | |
O4 | 0.7069 (4) | 0.6607 (3) | 0.13745 (12) | 0.0313 (9) | |
Si11 | 0.7963 (2) | 0.27900 (12) | 0.12016 (7) | 0.0352 (4) | |
C111 | 0.9575 (9) | 0.2362 (7) | 0.1423 (3) | 0.073 (3) | |
H11A | 0.9416 | 0.1959 | 0.1678 | 0.072 (7)* | |
H11B | 1.0116 | 0.2868 | 0.1522 | 0.072 (7)* | |
H11C | 1.0035 | 0.2036 | 0.1182 | 0.072 (7)* | |
C112 | 0.7091 (10) | 0.1788 (5) | 0.0942 (3) | 0.064 (2) | |
H11D | 0.7062 | 0.1298 | 0.1162 | 0.072 (7)* | |
H11E | 0.7570 | 0.1592 | 0.0671 | 0.072 (7)* | |
H11F | 0.6193 | 0.1958 | 0.0858 | 0.072 (7)* | |
C113 | 0.7053 (7) | 0.3070 (4) | 0.1736 (2) | 0.0430 (16) | |
H11G | 0.6896 | 0.2521 | 0.1910 | 0.072 (7)* | |
H11H | 0.6209 | 0.3349 | 0.1661 | 0.072 (7)* | |
H11I | 0.7578 | 0.3486 | 0.1918 | 0.072 (7)* | |
Si21 | 0.91318 (18) | 0.38228 (12) | 0.04242 (6) | 0.0364 (4) | |
C121 | 1.0309 (10) | 0.2862 (6) | 0.0346 (3) | 0.072 (3) | |
H12A | 0.9842 | 0.2295 | 0.0392 | 0.072 (7)* | |
H12B | 1.1025 | 0.2912 | 0.0567 | 0.072 (7)* | |
H12C | 1.0672 | 0.2879 | 0.0040 | 0.072 (7)* | |
C122 | 1.0204 (6) | 0.4818 (6) | 0.0535 (3) | 0.057 (2) | |
H12D | 0.9671 | 0.5365 | 0.0522 | 0.072 (7)* | |
H12E | 1.0896 | 0.4848 | 0.0304 | 0.072 (7)* | |
H12F | 1.0605 | 0.4763 | 0.0835 | 0.072 (7)* | |
C123 | 0.8389 (8) | 0.3974 (6) | −0.0148 (2) | 0.054 (2) | |
H12G | 0.7980 | 0.3412 | −0.0245 | 0.072 (7)* | |
H12H | 0.9076 | 0.4144 | −0.0364 | 0.072 (7)* | |
H12I | 0.7721 | 0.4446 | −0.0136 | 0.072 (7)* | |
C1 | 1.0249 (7) | 0.5436 (4) | 0.22032 (16) | 0.052 (2) | |
F1 | 1.0418 (10) | 0.6201 (5) | 0.2428 (3) | 0.0649 (10)* | 0.50 |
F2 | 1.1098 (9) | 0.5394 (7) | 0.1869 (3) | 0.0649 (10)* | 0.50 |
F3 | 1.0646 (9) | 0.4882 (6) | 0.2524 (3) | 0.0649 (10)* | 0.50 |
F1A | 1.0574 (10) | 0.5638 (7) | 0.2620 (2) | 0.0649 (10)* | 0.50 |
F2A | 1.0942 (10) | 0.5860 (6) | 0.1890 (3) | 0.0649 (10)* | 0.50 |
F3A | 1.0879 (10) | 0.4654 (5) | 0.2192 (3) | 0.0649 (10)* | 0.50 |
C2 | 0.8823 (6) | 0.5280 (4) | 0.20692 (18) | 0.0304 (12) | |
C3 | 0.7856 (6) | 0.5351 (4) | 0.23967 (19) | 0.0312 (12) | |
C4 | 0.6484 (5) | 0.5288 (4) | 0.22879 (18) | 0.0250 (11) | |
C5 | 0.5742 (6) | 0.5500 (4) | 0.27222 (18) | 0.0322 (13) | |
C6 | 0.5998 (7) | 0.6529 (4) | 0.2786 (2) | 0.0390 (15) | |
H6A | 0.5849 | 0.6858 | 0.2500 | 0.031 (6)* | |
H6B | 0.5421 | 0.6781 | 0.3023 | 0.031 (6)* | |
C7 | 0.7475 (6) | 0.6577 (5) | 0.2930 (2) | 0.0397 (15) | |
H7A | 0.7988 | 0.6961 | 0.2722 | 0.031 (6)* | |
H7B | 0.7567 | 0.6808 | 0.3242 | 0.031 (6)* | |
C8 | 0.7916 (6) | 0.5583 (5) | 0.28981 (18) | 0.0362 (14) | |
H8A | 0.8762 | 0.5435 | 0.3054 | 0.027 (11)* | |
C9 | 0.6684 (6) | 0.5082 (5) | 0.30771 (17) | 0.0375 (13) | |
C10 | 0.6340 (7) | 0.5317 (5) | 0.35735 (19) | 0.0492 (18) | |
H10A | 0.6357 | 0.5969 | 0.3613 | 0.057 (5)* | |
H10B | 0.6985 | 0.5041 | 0.3776 | 0.057 (5)* | |
H10C | 0.5460 | 0.5091 | 0.3645 | 0.057 (5)* | |
C11 | 0.6785 (8) | 0.4056 (5) | 0.3042 (2) | 0.0482 (17) | |
H11J | 0.7365 | 0.3830 | 0.3281 | 0.057 (5)* | |
H11K | 0.7145 | 0.3893 | 0.2746 | 0.057 (5)* | |
H11L | 0.5908 | 0.3792 | 0.3076 | 0.057 (5)* | |
C12 | 0.4303 (6) | 0.5252 (4) | 0.2716 (2) | 0.0400 (15) | |
H12J | 0.4214 | 0.4605 | 0.2669 | 0.057 (5)* | |
H12K | 0.3861 | 0.5573 | 0.2470 | 0.057 (5)* | |
H12L | 0.3900 | 0.5417 | 0.3006 | 0.057 (5)* | |
C13 | 0.8050 (8) | 0.6873 (4) | −0.0095 (2) | 0.0418 (15) | |
F4 | 0.7506 (6) | 0.7628 (3) | −0.02404 (14) | 0.0660 (15) | |
F5 | 0.9319 (6) | 0.6972 (5) | −0.01700 (17) | 0.0861 (18) | |
F6 | 0.7604 (7) | 0.6242 (3) | −0.03680 (14) | 0.087 (2) | |
C14 | 0.7733 (6) | 0.6672 (4) | 0.04012 (18) | 0.0295 (12) | |
C15 | 0.7939 (6) | 0.7342 (4) | 0.07094 (17) | 0.0284 (12) | |
C16 | 0.7567 (6) | 0.7259 (4) | 0.1174 (2) | 0.0255 (12) | |
C17 | 0.7857 (7) | 0.8157 (4) | 0.1395 (2) | 0.0354 (14) | |
C18 | 0.6807 (7) | 0.8796 (4) | 0.1182 (2) | 0.0449 (15) | |
H18A | 0.5919 | 0.8525 | 0.1196 | 0.031 (6)* | |
H18B | 0.6791 | 0.9378 | 0.1341 | 0.031 (6)* | |
C19 | 0.7250 (7) | 0.8915 (4) | 0.0687 (3) | 0.0455 (16) | |
H19A | 0.7489 | 0.9545 | 0.0623 | 0.031 (6)* | |
H19B | 0.6558 | 0.8721 | 0.0474 | 0.031 (6)* | |
C20 | 0.8463 (6) | 0.8297 (4) | 0.0663 (2) | 0.0327 (13) | |
H20A | 0.9055 | 0.8401 | 0.0398 | 0.027 (11)* | |
C21 | 0.9116 (6) | 0.8423 (4) | 0.1133 (2) | 0.0361 (13) | |
C22 | 0.9579 (8) | 0.9384 (5) | 0.1223 (2) | 0.0485 (17) | |
H22A | 0.8881 | 0.9805 | 0.1140 | 0.057 (5)* | |
H22B | 1.0366 | 0.9509 | 0.1043 | 0.057 (5)* | |
H22C | 0.9787 | 0.9453 | 0.1545 | 0.057 (5)* | |
C23 | 1.0270 (7) | 0.7793 (5) | 0.1220 (3) | 0.0479 (17) | |
H23A | 1.0002 | 0.7175 | 0.1157 | 0.057 (5)* | |
H23B | 1.0544 | 0.7843 | 0.1537 | 0.057 (5)* | |
H23C | 1.1006 | 0.7956 | 0.1022 | 0.057 (5)* | |
C24 | 0.7883 (9) | 0.8134 (5) | 0.1907 (2) | 0.052 (2) | |
H24A | 0.8550 | 0.7705 | 0.2008 | 0.057 (5)* | |
H24B | 0.7019 | 0.7951 | 0.2021 | 0.057 (5)* | |
H24C | 0.8098 | 0.8731 | 0.2023 | 0.057 (5)* | |
N31 | 0.4341 (6) | 0.5713 (3) | 0.1093 (2) | 0.0348 (13) | |
C32 | 0.3629 (5) | 0.4992 (6) | 0.13029 (19) | 0.0404 (12) | |
H32A | 0.2704 | 0.4992 | 0.1199 | 0.031 (7)* | |
H32B | 0.3640 | 0.5061 | 0.1636 | 0.031 (7)* | |
N33 | 0.4285 (6) | 0.4143 (4) | 0.1171 (2) | 0.0385 (13) | |
C34 | 0.4213 (7) | 0.4027 (4) | 0.0686 (2) | 0.0393 (16) | |
H34A | 0.3285 | 0.4017 | 0.0585 | 0.031 (7)* | |
H34B | 0.4635 | 0.3457 | 0.0595 | 0.031 (7)* | |
N35 | 0.4900 (5) | 0.4782 (3) | 0.04861 (15) | 0.0293 (11) | |
C36 | 0.4248 (7) | 0.5623 (4) | 0.0595 (2) | 0.0332 (14) | |
H36A | 0.3317 | 0.5608 | 0.0497 | 0.031 (7)* | |
H36B | 0.4693 | 0.6130 | 0.0443 | 0.031 (7)* | |
C37 | 0.3879 (8) | 0.6595 (5) | 0.1246 (3) | 0.051 (2) | |
H37A | 0.2940 | 0.6656 | 0.1180 | 0.065 (9)* | |
H37B | 0.4369 | 0.7065 | 0.1088 | 0.065 (9)* | |
H37C | 0.4021 | 0.6651 | 0.1573 | 0.065 (9)* | |
C38 | 0.3685 (9) | 0.3397 (6) | 0.1415 (3) | 0.061 (2) | |
H38A | 0.2744 | 0.3372 | 0.1346 | 0.065 (9)* | |
H38B | 0.3807 | 0.3483 | 0.1741 | 0.065 (9)* | |
H38C | 0.4103 | 0.2835 | 0.1322 | 0.065 (9)* | |
C39 | 0.4997 (7) | 0.4674 (5) | −0.0009 (2) | 0.0435 (16) | |
H39A | 0.4119 | 0.4721 | −0.0143 | 0.065 (9)* | |
H39B | 0.5373 | 0.4086 | −0.0079 | 0.065 (9)* | |
H39C | 0.5565 | 0.5144 | −0.0133 | 0.065 (9)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ce | 0.02102 (11) | 0.02051 (11) | 0.02322 (11) | −0.0001 (2) | −0.00155 (10) | −0.00048 (17) |
N1 | 0.028 (2) | 0.027 (2) | 0.028 (2) | 0.001 (2) | −0.001 (2) | −0.0011 (17) |
O1 | 0.0204 (14) | 0.046 (2) | 0.0267 (16) | 0.001 (2) | −0.0018 (13) | −0.002 (2) |
O2 | 0.0213 (15) | 0.034 (2) | 0.0292 (16) | 0.0030 (19) | −0.0005 (13) | 0.0025 (17) |
O3 | 0.035 (2) | 0.0294 (18) | 0.0296 (19) | −0.0075 (18) | 0.0045 (17) | −0.0007 (16) |
O4 | 0.037 (2) | 0.0268 (18) | 0.0303 (19) | −0.0029 (18) | 0.0026 (18) | −0.0015 (15) |
Si11 | 0.0354 (10) | 0.0289 (8) | 0.0413 (10) | 0.0061 (8) | −0.0043 (10) | 0.0015 (7) |
C111 | 0.051 (5) | 0.095 (7) | 0.073 (6) | 0.033 (5) | −0.004 (5) | 0.033 (5) |
C112 | 0.081 (6) | 0.030 (3) | 0.082 (6) | −0.003 (4) | 0.005 (5) | 0.000 (4) |
C113 | 0.041 (4) | 0.037 (3) | 0.052 (4) | −0.001 (3) | −0.002 (3) | 0.012 (3) |
Si21 | 0.0353 (9) | 0.0411 (9) | 0.0329 (8) | 0.0079 (8) | 0.0016 (7) | −0.0035 (7) |
C121 | 0.083 (7) | 0.073 (6) | 0.060 (5) | 0.041 (5) | 0.027 (5) | 0.007 (4) |
C122 | 0.024 (3) | 0.086 (7) | 0.060 (4) | −0.007 (4) | 0.001 (3) | 0.001 (4) |
C123 | 0.053 (5) | 0.077 (5) | 0.033 (3) | −0.009 (4) | −0.003 (3) | −0.006 (3) |
C1 | 0.026 (3) | 0.095 (6) | 0.036 (3) | 0.011 (4) | 0.004 (3) | −0.008 (4) |
C2 | 0.024 (3) | 0.040 (3) | 0.027 (2) | 0.000 (2) | −0.004 (2) | 0.003 (2) |
C3 | 0.025 (3) | 0.037 (3) | 0.032 (3) | 0.002 (2) | −0.001 (2) | −0.003 (2) |
C4 | 0.021 (2) | 0.028 (2) | 0.026 (2) | −0.002 (2) | 0.005 (2) | 0.0014 (19) |
C5 | 0.028 (3) | 0.045 (3) | 0.023 (2) | 0.004 (3) | 0.005 (2) | 0.001 (2) |
C6 | 0.037 (3) | 0.042 (3) | 0.038 (3) | 0.004 (3) | 0.004 (3) | −0.006 (3) |
C7 | 0.034 (3) | 0.052 (4) | 0.034 (3) | −0.005 (3) | 0.002 (3) | −0.014 (3) |
C8 | 0.029 (3) | 0.058 (4) | 0.021 (2) | 0.003 (3) | −0.003 (2) | −0.006 (3) |
C9 | 0.034 (3) | 0.052 (4) | 0.026 (2) | −0.003 (4) | 0.000 (2) | −0.003 (3) |
C10 | 0.050 (4) | 0.074 (5) | 0.023 (3) | −0.009 (4) | 0.000 (3) | 0.003 (3) |
C11 | 0.056 (4) | 0.054 (4) | 0.035 (3) | 0.005 (4) | −0.002 (3) | 0.013 (3) |
C12 | 0.032 (3) | 0.053 (4) | 0.034 (3) | −0.003 (3) | 0.007 (3) | 0.000 (3) |
C13 | 0.057 (4) | 0.039 (3) | 0.030 (3) | −0.012 (4) | 0.007 (3) | −0.001 (2) |
F4 | 0.108 (4) | 0.051 (2) | 0.040 (2) | −0.003 (3) | −0.005 (3) | 0.0160 (19) |
F5 | 0.062 (3) | 0.141 (5) | 0.055 (3) | 0.002 (4) | 0.029 (3) | 0.011 (3) |
F6 | 0.178 (7) | 0.051 (2) | 0.032 (2) | −0.044 (4) | −0.003 (3) | −0.0047 (18) |
C14 | 0.030 (3) | 0.033 (3) | 0.026 (2) | −0.005 (2) | 0.001 (2) | 0.003 (2) |
C15 | 0.032 (3) | 0.032 (3) | 0.021 (2) | −0.005 (2) | −0.005 (2) | 0.004 (2) |
C16 | 0.024 (3) | 0.023 (2) | 0.029 (3) | −0.001 (2) | −0.002 (3) | −0.001 (2) |
C17 | 0.043 (4) | 0.025 (3) | 0.038 (3) | −0.007 (3) | 0.006 (3) | −0.005 (2) |
C18 | 0.045 (3) | 0.023 (2) | 0.067 (4) | −0.001 (3) | 0.004 (4) | −0.005 (3) |
C19 | 0.052 (4) | 0.023 (3) | 0.062 (4) | 0.000 (3) | −0.011 (4) | 0.005 (3) |
C20 | 0.031 (3) | 0.033 (3) | 0.034 (3) | −0.011 (3) | 0.003 (2) | 0.001 (2) |
C21 | 0.037 (3) | 0.033 (3) | 0.038 (3) | −0.009 (3) | 0.002 (3) | 0.001 (3) |
C22 | 0.061 (4) | 0.044 (3) | 0.040 (3) | −0.024 (4) | −0.002 (3) | −0.005 (3) |
C23 | 0.035 (4) | 0.049 (4) | 0.060 (5) | −0.006 (3) | −0.008 (4) | −0.002 (3) |
C24 | 0.077 (6) | 0.042 (3) | 0.038 (3) | −0.014 (4) | 0.015 (4) | −0.010 (3) |
N31 | 0.030 (3) | 0.034 (2) | 0.040 (3) | 0.010 (2) | −0.007 (3) | −0.002 (2) |
C32 | 0.019 (2) | 0.062 (4) | 0.040 (3) | −0.002 (5) | −0.001 (2) | 0.006 (4) |
N33 | 0.030 (3) | 0.041 (3) | 0.045 (3) | −0.006 (3) | −0.007 (3) | 0.010 (3) |
C34 | 0.030 (3) | 0.029 (3) | 0.059 (4) | −0.005 (3) | −0.013 (3) | 0.003 (3) |
N35 | 0.032 (2) | 0.027 (3) | 0.028 (2) | −0.0013 (19) | −0.0069 (19) | −0.0005 (17) |
C36 | 0.035 (3) | 0.022 (3) | 0.043 (3) | 0.003 (3) | −0.018 (3) | 0.002 (2) |
C37 | 0.048 (4) | 0.050 (4) | 0.055 (5) | 0.024 (4) | −0.011 (4) | −0.013 (3) |
C38 | 0.044 (4) | 0.067 (5) | 0.073 (6) | −0.016 (4) | −0.003 (4) | 0.032 (5) |
C39 | 0.052 (4) | 0.043 (3) | 0.036 (3) | −0.004 (3) | −0.013 (3) | −0.009 (3) |
Ce—O1 | 2.414 (3) | C10—H10A | 0.9800 |
Ce—O2 | 2.480 (4) | C10—H10B | 0.9800 |
Ce—O3 | 2.415 (4) | C10—H10C | 0.9800 |
Ce—O4 | 2.528 (4) | C11—H11J | 0.9800 |
Ce—N1 | 2.428 (5) | C11—H11K | 0.9800 |
Ce—N31 | 2.762 (6) | C11—H11L | 0.9800 |
Ce—N33 | 2.883 (6) | C12—H12J | 0.9800 |
Ce—N35 | 2.780 (5) | C12—H12K | 0.9800 |
Ce—Si11 | 3.478 (2) | C12—H12L | 0.9800 |
N1—Si11 | 1.705 (5) | C13—F5 | 1.318 (9) |
N1—Si21 | 1.712 (5) | C13—F6 | 1.320 (8) |
O1—C2 | 1.266 (6) | C13—F4 | 1.326 (8) |
O2—C4 | 1.238 (6) | C13—C14 | 1.533 (8) |
O3—C14 | 1.271 (7) | C14—C15 | 1.370 (8) |
O4—C16 | 1.248 (7) | C15—C16 | 1.429 (8) |
Si11—C111 | 1.877 (8) | C15—C20 | 1.528 (7) |
Si11—C113 | 1.880 (7) | C16—C17 | 1.521 (8) |
Si11—C112 | 1.901 (8) | C17—C24 | 1.516 (8) |
C111—H11A | 0.9800 | C17—C21 | 1.548 (9) |
C111—H11B | 0.9800 | C17—C18 | 1.564 (9) |
C111—H11C | 0.9800 | C18—C19 | 1.540 (10) |
C112—H11D | 0.9800 | C18—H18A | 0.9900 |
C112—H11E | 0.9800 | C18—H18B | 0.9900 |
C112—H11F | 0.9800 | C19—C20 | 1.543 (9) |
C113—H11G | 0.9800 | C19—H19A | 0.9900 |
C113—H11H | 0.9800 | C19—H19B | 0.9900 |
C113—H11I | 0.9800 | C20—C21 | 1.550 (9) |
Si21—C123 | 1.868 (7) | C20—H20A | 1.0000 |
Si21—C122 | 1.872 (8) | C21—C23 | 1.527 (9) |
Si21—C121 | 1.883 (8) | C21—C22 | 1.535 (8) |
C121—H12A | 0.9800 | C22—H22A | 0.9800 |
C121—H12B | 0.9800 | C22—H22B | 0.9800 |
C121—H12C | 0.9800 | C22—H22C | 0.9800 |
C122—H12D | 0.9800 | C23—H23A | 0.9800 |
C122—H12E | 0.9800 | C23—H23B | 0.9800 |
C122—H12F | 0.9800 | C23—H23C | 0.9800 |
C123—H12G | 0.9800 | C24—H24A | 0.9800 |
C123—H12H | 0.9800 | C24—H24B | 0.9800 |
C123—H12I | 0.9800 | C24—H24C | 0.9800 |
C1—F1A | 1.310 (5) | N31—C32 | 1.437 (9) |
C1—F2 | 1.313 (5) | N31—C37 | 1.469 (8) |
C1—F3 | 1.322 (5) | N31—C36 | 1.484 (8) |
C1—F2A | 1.325 (5) | C32—N33 | 1.485 (9) |
C1—F1 | 1.332 (5) | C32—H32A | 0.9900 |
C1—F3A | 1.333 (5) | C32—H32B | 0.9900 |
C1—C2 | 1.521 (9) | N33—C34 | 1.446 (10) |
C2—C3 | 1.384 (8) | N33—C38 | 1.462 (9) |
C3—C4 | 1.436 (7) | C34—N35 | 1.451 (8) |
C3—C8 | 1.524 (7) | C34—H34A | 0.9900 |
C4—C5 | 1.522 (7) | C34—H34B | 0.9900 |
C5—C12 | 1.510 (8) | N35—C36 | 1.456 (7) |
C5—C9 | 1.552 (8) | N35—C39 | 1.476 (8) |
C5—C6 | 1.569 (9) | C36—H36A | 0.9900 |
C6—C7 | 1.563 (9) | C36—H36B | 0.9900 |
C6—H6A | 0.9900 | C37—H37A | 0.9800 |
C6—H6B | 0.9900 | C37—H37B | 0.9800 |
C7—C8 | 1.554 (9) | C37—H37C | 0.9800 |
C7—H7A | 0.9900 | C38—H38A | 0.9800 |
C7—H7B | 0.9900 | C38—H38B | 0.9800 |
C8—C9 | 1.553 (8) | C38—H38C | 0.9800 |
C8—H8A | 1.0000 | C39—H39A | 0.9800 |
C9—C11 | 1.539 (10) | C39—H39B | 0.9800 |
C9—C10 | 1.549 (8) | C39—H39C | 0.9800 |
O1—Ce—O2 | 72.10 (11) | C9—C10—H10B | 109.5 |
O1—Ce—O3 | 108.57 (14) | H10A—C10—H10B | 109.5 |
O1—Ce—O4 | 72.12 (16) | C9—C10—H10C | 109.5 |
O1—Ce—N1 | 84.03 (16) | H10A—C10—H10C | 109.5 |
O1—Ce—N31 | 135.94 (16) | H10B—C10—H10C | 109.5 |
O1—Ce—N33 | 135.07 (16) | C9—C11—H11J | 109.5 |
O1—Ce—N35 | 173.88 (13) | C9—C11—H11K | 109.5 |
O2—Ce—O3 | 140.37 (14) | H11J—C11—H11K | 109.5 |
O2—Ce—O4 | 72.64 (13) | C9—C11—H11L | 109.5 |
O2—Ce—N1 | 125.16 (14) | H11J—C11—H11L | 109.5 |
O2—Ce—N31 | 71.50 (15) | H11K—C11—H11L | 109.5 |
O2—Ce—N33 | 71.56 (16) | C5—C12—H12J | 109.5 |
O2—Ce—N35 | 113.61 (13) | C5—C12—H12K | 109.5 |
O3—Ce—O4 | 70.32 (13) | H12J—C12—H12K | 109.5 |
O3—Ce—N1 | 93.65 (14) | C5—C12—H12L | 109.5 |
O3—Ce—N31 | 85.12 (16) | H12J—C12—H12L | 109.5 |
O3—Ce—N33 | 116.24 (16) | H12K—C12—H12L | 109.5 |
O3—Ce—N35 | 68.68 (14) | F5—C13—F6 | 108.3 (7) |
O4—Ce—N1 | 144.28 (15) | F5—C13—F4 | 105.0 (6) |
O4—Ce—N31 | 74.00 (15) | F6—C13—F4 | 105.4 (6) |
O4—Ce—N33 | 119.68 (16) | F5—C13—C14 | 112.8 (6) |
O4—Ce—N35 | 111.18 (13) | F6—C13—C14 | 111.9 (5) |
N1—Ce—N31 | 138.11 (17) | F4—C13—C14 | 112.9 (6) |
N1—Ce—N33 | 96.01 (17) | O3—C14—C15 | 126.4 (5) |
N1—Ce—N35 | 90.64 (15) | O3—C14—C13 | 116.1 (5) |
N31—Ce—N33 | 49.28 (15) | C15—C14—C13 | 117.5 (5) |
N31—Ce—N35 | 49.98 (15) | C14—C15—C16 | 122.4 (5) |
N33—Ce—N35 | 48.40 (16) | C14—C15—C20 | 132.5 (5) |
Si11—N1—Si21 | 123.7 (3) | C16—C15—C20 | 105.0 (5) |
Si11—N1—Ce | 113.5 (2) | O4—C16—C15 | 129.2 (5) |
Si21—N1—Ce | 120.0 (2) | O4—C16—C17 | 124.3 (6) |
C2—O1—Ce | 135.6 (3) | C15—C16—C17 | 106.5 (5) |
C4—O2—Ce | 132.2 (3) | C24—C17—C16 | 114.4 (5) |
C14—O3—Ce | 137.6 (4) | C24—C17—C21 | 119.4 (6) |
C16—O4—Ce | 131.1 (4) | C16—C17—C21 | 99.9 (5) |
N1—Si11—C111 | 117.4 (4) | C24—C17—C18 | 115.4 (6) |
N1—Si11—C113 | 110.5 (3) | C16—C17—C18 | 103.5 (5) |
C111—Si11—C113 | 102.3 (4) | C21—C17—C18 | 102.0 (5) |
N1—Si11—C112 | 112.8 (3) | C19—C18—C17 | 104.6 (5) |
C111—Si11—C112 | 106.3 (4) | C19—C18—H18A | 110.8 |
C113—Si11—C112 | 106.6 (4) | C17—C18—H18A | 110.8 |
Si11—C111—H11A | 109.5 | C19—C18—H18B | 110.8 |
Si11—C111—H11B | 109.5 | C17—C18—H18B | 110.8 |
H11A—C111—H11B | 109.5 | H18A—C18—H18B | 108.9 |
Si11—C111—H11C | 109.5 | C18—C19—C20 | 102.1 (5) |
H11A—C111—H11C | 109.5 | C18—C19—H19A | 111.4 |
H11B—C111—H11C | 109.5 | C20—C19—H19A | 111.4 |
Si11—C112—H11D | 109.5 | C18—C19—H19B | 111.4 |
Si11—C112—H11E | 109.5 | C20—C19—H19B | 111.4 |
H11D—C112—H11E | 109.5 | H19A—C19—H19B | 109.2 |
Si11—C112—H11F | 109.5 | C15—C20—C19 | 106.0 (5) |
H11D—C112—H11F | 109.5 | C15—C20—C21 | 100.5 (5) |
H11E—C112—H11F | 109.5 | C19—C20—C21 | 103.2 (5) |
Si11—C113—H11G | 109.5 | C15—C20—H20A | 115.2 |
Si11—C113—H11H | 109.5 | C19—C20—H20A | 115.2 |
H11G—C113—H11H | 109.5 | C21—C20—H20A | 115.2 |
Si11—C113—H11I | 109.5 | C23—C21—C22 | 108.1 (6) |
H11G—C113—H11I | 109.5 | C23—C21—C17 | 113.2 (5) |
H11H—C113—H11I | 109.5 | C22—C21—C17 | 114.0 (6) |
N1—Si21—C123 | 114.1 (3) | C23—C21—C20 | 113.9 (6) |
N1—Si21—C122 | 110.6 (3) | C22—C21—C20 | 113.7 (5) |
C123—Si21—C122 | 107.3 (4) | C17—C21—C20 | 93.6 (5) |
N1—Si21—C121 | 115.4 (3) | C21—C22—H22A | 109.5 |
C123—Si21—C121 | 103.8 (4) | C21—C22—H22B | 109.5 |
C122—Si21—C121 | 104.9 (4) | H22A—C22—H22B | 109.5 |
Si21—C121—H12A | 109.5 | C21—C22—H22C | 109.5 |
Si21—C121—H12B | 109.5 | H22A—C22—H22C | 109.5 |
H12A—C121—H12B | 109.5 | H22B—C22—H22C | 109.5 |
Si21—C121—H12C | 109.5 | C21—C23—H23A | 109.5 |
H12A—C121—H12C | 109.5 | C21—C23—H23B | 109.5 |
H12B—C121—H12C | 109.5 | H23A—C23—H23B | 109.5 |
Si21—C122—H12D | 109.5 | C21—C23—H23C | 109.5 |
Si21—C122—H12E | 109.5 | H23A—C23—H23C | 109.5 |
H12D—C122—H12E | 109.5 | H23B—C23—H23C | 109.5 |
Si21—C122—H12F | 109.5 | C17—C24—H24A | 109.5 |
H12D—C122—H12F | 109.5 | C17—C24—H24B | 109.5 |
H12E—C122—H12F | 109.5 | H24A—C24—H24B | 109.5 |
Si21—C123—H12G | 109.5 | C17—C24—H24C | 109.5 |
Si21—C123—H12H | 109.5 | H24A—C24—H24C | 109.5 |
H12G—C123—H12H | 109.5 | H24B—C24—H24C | 109.5 |
Si21—C123—H12I | 109.5 | C32—N31—C37 | 112.2 (6) |
H12G—C123—H12I | 109.5 | C32—N31—C36 | 109.2 (5) |
H12H—C123—H12I | 109.5 | C37—N31—C36 | 111.5 (5) |
F2—C1—F3 | 108.0 (8) | C32—N31—Ce | 98.3 (3) |
F1A—C1—F2A | 114.4 (8) | C37—N31—Ce | 129.0 (5) |
F2—C1—F1 | 109.3 (8) | C36—N31—Ce | 94.3 (4) |
F3—C1—F1 | 98.0 (7) | N31—C32—N33 | 107.4 (4) |
F2A—C1—F3A | 98.4 (7) | N31—C32—H32A | 110.2 |
F1A—C1—C2 | 121.4 (6) | N33—C32—H32A | 110.2 |
F2—C1—C2 | 115.1 (6) | N31—C32—H32B | 110.2 |
F3—C1—C2 | 112.4 (6) | N33—C32—H32B | 110.2 |
F2A—C1—C2 | 113.5 (7) | H32A—C32—H32B | 108.5 |
F1—C1—C2 | 112.7 (7) | C34—N33—C38 | 112.2 (6) |
F3A—C1—C2 | 108.5 (7) | C34—N33—C32 | 109.9 (5) |
O1—C2—C3 | 127.6 (5) | C38—N33—C32 | 109.5 (6) |
O1—C2—C1 | 113.5 (5) | C34—N33—Ce | 94.0 (4) |
C3—C2—C1 | 118.9 (5) | C38—N33—Ce | 136.2 (5) |
C2—C3—C4 | 121.9 (5) | C32—N33—Ce | 92.2 (3) |
C2—C3—C8 | 132.1 (5) | N33—C34—N35 | 106.6 (5) |
C4—C3—C8 | 105.7 (5) | N33—C34—H34A | 110.4 |
O2—C4—C3 | 129.4 (5) | N35—C34—H34A | 110.4 |
O2—C4—C5 | 124.3 (5) | N33—C34—H34B | 110.4 |
C3—C4—C5 | 106.2 (5) | N35—C34—H34B | 110.4 |
C12—C5—C4 | 114.8 (5) | H34A—C34—H34B | 108.6 |
C12—C5—C9 | 120.5 (5) | C34—N35—C36 | 111.2 (5) |
C4—C5—C9 | 100.4 (4) | C34—N35—C39 | 110.5 (5) |
C12—C5—C6 | 113.7 (5) | C36—N35—C39 | 110.1 (5) |
C4—C5—C6 | 102.8 (5) | C34—N35—Ce | 98.2 (3) |
C9—C5—C6 | 102.2 (5) | C36—N35—Ce | 94.2 (3) |
C7—C6—C5 | 103.7 (5) | C39—N35—Ce | 131.0 (4) |
C7—C6—H6A | 111.0 | N35—C36—N31 | 105.6 (4) |
C5—C6—H6A | 111.0 | N35—C36—H36A | 110.6 |
C7—C6—H6B | 111.0 | N31—C36—H36A | 110.6 |
C5—C6—H6B | 111.0 | N35—C36—H36B | 110.6 |
H6A—C6—H6B | 109.0 | N31—C36—H36B | 110.6 |
C8—C7—C6 | 102.5 (5) | H36A—C36—H36B | 108.8 |
C8—C7—H7A | 111.3 | N31—C37—H37A | 109.5 |
C6—C7—H7A | 111.3 | N31—C37—H37B | 109.5 |
C8—C7—H7B | 111.3 | H37A—C37—H37B | 109.5 |
C6—C7—H7B | 111.3 | N31—C37—H37C | 109.5 |
H7A—C7—H7B | 109.2 | H37A—C37—H37C | 109.5 |
C3—C8—C9 | 100.9 (5) | H37B—C37—H37C | 109.5 |
C3—C8—C7 | 105.4 (5) | N33—C38—H38A | 109.5 |
C9—C8—C7 | 101.9 (5) | N33—C38—H38B | 109.5 |
C3—C8—H8A | 115.5 | H38A—C38—H38B | 109.5 |
C9—C8—H8A | 115.5 | N33—C38—H38C | 109.5 |
C7—C8—H8A | 115.5 | H38A—C38—H38C | 109.5 |
C11—C9—C10 | 107.8 (5) | H38B—C38—H38C | 109.5 |
C11—C9—C5 | 113.3 (5) | N35—C39—H39A | 109.5 |
C10—C9—C5 | 114.2 (6) | N35—C39—H39B | 109.5 |
C11—C9—C8 | 113.8 (6) | H39A—C39—H39B | 109.5 |
C10—C9—C8 | 113.3 (5) | N35—C39—H39C | 109.5 |
C5—C9—C8 | 94.2 (5) | H39A—C39—H39C | 109.5 |
C9—C10—H10A | 109.5 | H39B—C39—H39C | 109.5 |
O1—Ce—N1—Si11 | 72.7 (3) | C3—C8—C9—C10 | −170.5 (6) |
O3—Ce—N1—Si11 | −179.0 (3) | C7—C8—C9—C10 | −62.0 (7) |
O2—Ce—N1—Si11 | 9.6 (3) | C3—C8—C9—C5 | −51.9 (5) |
O4—Ce—N1—Si11 | 120.3 (3) | C7—C8—C9—C5 | 56.6 (5) |
N31—Ce—N1—Si11 | −92.2 (3) | Ce—O3—C14—C15 | −10.3 (10) |
N35—Ce—N1—Si11 | −110.3 (3) | Ce—O3—C14—C13 | 170.2 (5) |
N33—Ce—N1—Si11 | −62.1 (3) | F5—C13—C14—O3 | −111.9 (7) |
O1—Ce—N1—Si21 | −89.1 (3) | F6—C13—C14—O3 | 10.5 (9) |
O3—Ce—N1—Si21 | 19.2 (3) | F4—C13—C14—O3 | 129.3 (6) |
O2—Ce—N1—Si21 | −152.3 (2) | F5—C13—C14—C15 | 68.5 (8) |
O4—Ce—N1—Si21 | −41.5 (4) | F6—C13—C14—C15 | −169.0 (7) |
N31—Ce—N1—Si21 | 106.0 (3) | F4—C13—C14—C15 | −50.3 (9) |
N35—Ce—N1—Si21 | 87.9 (3) | O3—C14—C15—C16 | −5.4 (10) |
N33—Ce—N1—Si21 | 136.1 (3) | C13—C14—C15—C16 | 174.2 (6) |
Si11—Ce—N1—Si21 | −161.8 (5) | O3—C14—C15—C20 | 179.4 (6) |
O3—Ce—O1—C2 | 127.6 (6) | C13—C14—C15—C20 | −1.1 (10) |
N1—Ce—O1—C2 | −140.6 (6) | Ce—O4—C16—C15 | 13.7 (10) |
O2—Ce—O1—C2 | −10.6 (6) | Ce—O4—C16—C17 | −168.2 (4) |
O4—Ce—O1—C2 | 66.4 (6) | C14—C15—C16—O4 | 2.6 (10) |
N31—Ce—O1—C2 | 25.0 (7) | C20—C15—C16—O4 | 179.0 (6) |
N33—Ce—O1—C2 | −48.0 (7) | C14—C15—C16—C17 | −175.8 (6) |
Si11—Ce—O1—C2 | −114.4 (6) | C20—C15—C16—C17 | 0.6 (6) |
O1—Ce—O2—C4 | 8.5 (5) | O4—C16—C17—C24 | 17.4 (10) |
O3—Ce—O2—C4 | −89.2 (5) | C15—C16—C17—C24 | −164.1 (6) |
N1—Ce—O2—C4 | 77.4 (5) | O4—C16—C17—C21 | 146.2 (6) |
O4—Ce—O2—C4 | −67.7 (5) | C15—C16—C17—C21 | −35.3 (6) |
N31—Ce—O2—C4 | −146.2 (5) | O4—C16—C17—C18 | −108.8 (7) |
N35—Ce—O2—C4 | −173.8 (5) | C15—C16—C17—C18 | 69.6 (6) |
N33—Ce—O2—C4 | 161.7 (5) | C24—C17—C18—C19 | 163.4 (6) |
Si11—Ce—O2—C4 | 81.7 (5) | C16—C17—C18—C19 | −70.9 (6) |
O1—Ce—O3—C14 | −45.8 (6) | C21—C17—C18—C19 | 32.4 (6) |
N1—Ce—O3—C14 | −130.7 (6) | C17—C18—C19—C20 | 2.7 (6) |
O2—Ce—O3—C14 | 38.3 (7) | C14—C15—C20—C19 | 103.1 (8) |
O4—Ce—O3—C14 | 16.6 (6) | C16—C15—C20—C19 | −72.7 (6) |
N31—Ce—O3—C14 | 91.3 (6) | C14—C15—C20—C21 | −149.8 (7) |
N35—Ce—O3—C14 | 140.0 (6) | C16—C15—C20—C21 | 34.4 (6) |
N33—Ce—O3—C14 | 130.8 (6) | C18—C19—C20—C15 | 68.0 (6) |
Si11—Ce—O3—C14 | −131.3 (6) | C18—C19—C20—C21 | −37.2 (6) |
O1—Ce—O4—C16 | 100.8 (5) | C24—C17—C21—C23 | 60.8 (8) |
O3—Ce—O4—C16 | −17.3 (5) | C16—C17—C21—C23 | −64.5 (7) |
N1—Ce—O4—C16 | 50.3 (6) | C18—C17—C21—C23 | −170.7 (5) |
O2—Ce—O4—C16 | 177.1 (5) | C24—C17—C21—C22 | −63.2 (8) |
N31—Ce—O4—C16 | −107.8 (5) | C16—C17—C21—C22 | 171.4 (6) |
N35—Ce—O4—C16 | −73.7 (5) | C18—C17—C21—C22 | 65.2 (6) |
N33—Ce—O4—C16 | −126.9 (5) | C24—C17—C21—C20 | 178.8 (6) |
Si11—Ce—O4—C16 | 99.3 (5) | C16—C17—C21—C20 | 53.4 (5) |
Si21—N1—Si11—C111 | 42.3 (5) | C18—C17—C21—C20 | −52.7 (5) |
Ce—N1—Si11—C111 | −118.7 (4) | C15—C20—C21—C23 | 63.9 (6) |
Si21—N1—Si11—C113 | 159.1 (3) | C19—C20—C21—C23 | 173.2 (5) |
Ce—N1—Si11—C113 | −2.0 (4) | C15—C20—C21—C22 | −171.7 (6) |
Si21—N1—Si11—C112 | −81.7 (5) | C19—C20—C21—C22 | −62.3 (7) |
Ce—N1—Si11—C112 | 117.2 (4) | C15—C20—C21—C17 | −53.5 (5) |
Si21—N1—Si11—Ce | 161.1 (5) | C19—C20—C21—C17 | 55.9 (5) |
O1—Ce—Si11—N1 | −102.9 (3) | O1—Ce—N31—C32 | −95.4 (4) |
O3—Ce—Si11—N1 | 1.2 (3) | O3—Ce—N31—C32 | 152.8 (4) |
O2—Ce—Si11—N1 | −172.1 (3) | N1—Ce—N31—C32 | 62.7 (5) |
O4—Ce—Si11—N1 | −101.4 (3) | O2—Ce—N31—C32 | −59.7 (4) |
N31—Ce—Si11—N1 | 115.1 (3) | O4—Ce—N31—C32 | −136.3 (4) |
N35—Ce—Si11—N1 | 72.0 (3) | N35—Ce—N31—C32 | 86.6 (4) |
N33—Ce—Si11—N1 | 117.8 (3) | N33—Ce—N31—C32 | 21.6 (3) |
O1—Ce—Si11—C111 | −15.3 (4) | Si11—Ce—N31—C32 | 25.2 (5) |
O3—Ce—Si11—C111 | 88.7 (4) | O1—Ce—N31—C37 | 32.2 (7) |
N1—Ce—Si11—C111 | 87.5 (5) | O3—Ce—N31—C37 | −79.6 (6) |
O2—Ce—Si11—C111 | −84.6 (4) | N1—Ce—N31—C37 | −169.6 (5) |
O4—Ce—Si11—C111 | −13.9 (5) | O2—Ce—N31—C37 | 67.9 (6) |
N31—Ce—Si11—C111 | −157.4 (4) | O4—Ce—N31—C37 | −8.7 (6) |
N35—Ce—Si11—C111 | 159.5 (4) | N35—Ce—N31—C37 | −145.7 (7) |
N33—Ce—Si11—C111 | −154.7 (4) | N33—Ce—N31—C37 | 149.2 (7) |
O1—Ce—Si11—C113 | 75.2 (3) | Si11—Ce—N31—C37 | 152.8 (5) |
O3—Ce—Si11—C113 | 179.3 (3) | O1—Ce—N31—C36 | 154.5 (3) |
N1—Ce—Si11—C113 | 178.0 (4) | O3—Ce—N31—C36 | 42.7 (3) |
O2—Ce—Si11—C113 | 6.0 (3) | N1—Ce—N31—C36 | −47.4 (5) |
O4—Ce—Si11—C113 | 76.6 (3) | O2—Ce—N31—C36 | −169.8 (4) |
N31—Ce—Si11—C113 | −66.9 (3) | O4—Ce—N31—C36 | 113.6 (4) |
N35—Ce—Si11—C113 | −109.9 (3) | N35—Ce—N31—C36 | −23.4 (3) |
N33—Ce—Si11—C113 | −64.2 (3) | N33—Ce—N31—C36 | −88.5 (4) |
O1—Ce—Si11—C112 | 172.5 (4) | Si11—Ce—N31—C36 | −84.9 (4) |
O3—Ce—Si11—C112 | −83.5 (4) | C37—N31—C32—N33 | −172.9 (6) |
N1—Ce—Si11—C112 | −84.7 (4) | C36—N31—C32—N33 | 63.0 (6) |
O2—Ce—Si11—C112 | 103.2 (4) | Ce—N31—C32—N33 | −34.5 (4) |
O4—Ce—Si11—C112 | 173.9 (4) | N31—C32—N33—C34 | −62.5 (6) |
N31—Ce—Si11—C112 | 30.4 (4) | N31—C32—N33—C38 | 173.8 (6) |
N35—Ce—Si11—C112 | −12.7 (4) | N31—C32—N33—Ce | 32.5 (4) |
N33—Ce—Si11—C112 | 33.1 (4) | O1—Ce—N33—C34 | −151.8 (3) |
Si11—N1—Si21—C123 | 122.9 (4) | O3—Ce—N33—C34 | 32.9 (4) |
Ce—N1—Si21—C123 | −77.2 (4) | N1—Ce—N33—C34 | −64.2 (4) |
Si11—N1—Si21—C122 | −116.0 (4) | O2—Ce—N33—C34 | 170.7 (4) |
Ce—N1—Si21—C122 | 43.9 (4) | O4—Ce—N33—C34 | 114.1 (4) |
Si11—N1—Si21—C121 | 2.8 (5) | N31—Ce—N33—C34 | 89.5 (4) |
Ce—N1—Si21—C121 | 162.7 (4) | N35—Ce—N33—C34 | 21.3 (3) |
Ce—O1—C2—C3 | 12.1 (10) | Si11—Ce—N33—C34 | −87.8 (4) |
Ce—O1—C2—C1 | −168.0 (4) | O1—Ce—N33—C38 | −23.5 (9) |
F1A—C1—C2—O1 | 179.9 (7) | O3—Ce—N33—C38 | 161.2 (8) |
F2—C1—C2—O1 | 2.9 (9) | N1—Ce—N33—C38 | 64.1 (8) |
F3—C1—C2—O1 | −121.3 (7) | O2—Ce—N33—C38 | −61.0 (8) |
F2A—C1—C2—O1 | 37.5 (9) | O4—Ce—N33—C38 | −117.5 (8) |
F1—C1—C2—O1 | 129.1 (7) | N31—Ce—N33—C38 | −142.1 (9) |
F3A—C1—C2—O1 | −70.7 (7) | N35—Ce—N33—C38 | 149.6 (9) |
F1A—C1—C2—C3 | −0.2 (10) | Si11—Ce—N33—C38 | 40.5 (8) |
F2—C1—C2—C3 | −177.2 (7) | O1—Ce—N33—C32 | 98.0 (4) |
F3—C1—C2—C3 | 58.6 (8) | O3—Ce—N33—C32 | −77.3 (4) |
F2A—C1—C2—C3 | −142.7 (7) | N1—Ce—N33—C32 | −174.4 (3) |
F1—C1—C2—C3 | −51.1 (8) | O2—Ce—N33—C32 | 60.5 (3) |
F3A—C1—C2—C3 | 109.2 (7) | O4—Ce—N33—C32 | 4.0 (4) |
O1—C2—C3—C4 | −5.6 (10) | N31—Ce—N33—C32 | −20.6 (3) |
C1—C2—C3—C4 | 174.5 (6) | N35—Ce—N33—C32 | −88.9 (4) |
O1—C2—C3—C8 | −179.0 (6) | Si11—Ce—N33—C32 | 162.0 (4) |
C1—C2—C3—C8 | 1.2 (10) | C38—N33—C34—N35 | −177.0 (6) |
Ce—O2—C4—C3 | −8.4 (10) | C32—N33—C34—N35 | 61.0 (7) |
Ce—O2—C4—C5 | 169.3 (4) | Ce—N33—C34—N35 | −32.8 (5) |
C2—C3—C4—O2 | 4.1 (11) | N33—C34—N35—C36 | −63.3 (6) |
C8—C3—C4—O2 | 179.0 (6) | N33—C34—N35—C39 | 174.2 (5) |
C2—C3—C4—C5 | −173.9 (6) | N33—C34—N35—Ce | 34.5 (5) |
C8—C3—C4—C5 | 1.0 (7) | O3—Ce—N35—C34 | 169.8 (4) |
O2—C4—C5—C12 | 16.3 (9) | N1—Ce—N35—C34 | 76.1 (4) |
C3—C4—C5—C12 | −165.5 (5) | O2—Ce—N35—C34 | −53.2 (4) |
O2—C4—C5—C9 | 147.1 (6) | O4—Ce—N35—C34 | −132.8 (3) |
C3—C4—C5—C9 | −34.8 (6) | N31—Ce—N35—C34 | −88.2 (4) |
O2—C4—C5—C6 | −107.7 (6) | N33—Ce—N35—C34 | −21.4 (4) |
C3—C4—C5—C6 | 70.4 (6) | Si11—Ce—N35—C34 | 50.8 (4) |
C12—C5—C6—C7 | 163.0 (5) | O3—Ce—N35—C36 | −78.1 (3) |
C4—C5—C6—C7 | −72.3 (5) | N1—Ce—N35—C36 | −171.8 (4) |
C9—C5—C6—C7 | 31.5 (6) | O2—Ce—N35—C36 | 58.9 (4) |
C5—C6—C7—C8 | 4.0 (6) | O4—Ce—N35—C36 | −20.7 (4) |
C2—C3—C8—C9 | −152.7 (7) | N31—Ce—N35—C36 | 23.9 (3) |
C4—C3—C8—C9 | 33.1 (6) | N33—Ce—N35—C36 | 90.7 (4) |
C2—C3—C8—C7 | 101.5 (8) | Si11—Ce—N35—C36 | 162.9 (3) |
C4—C3—C8—C7 | −72.6 (6) | O3—Ce—N35—C39 | 43.3 (5) |
C6—C7—C8—C3 | 66.7 (6) | N1—Ce—N35—C39 | −50.4 (5) |
C6—C7—C8—C9 | −38.3 (6) | O2—Ce—N35—C39 | −179.7 (5) |
C12—C5—C9—C11 | 61.2 (8) | O4—Ce—N35—C39 | 100.7 (5) |
C4—C5—C9—C11 | −65.9 (6) | N31—Ce—N35—C39 | 145.3 (5) |
C6—C5—C9—C11 | −171.6 (5) | N33—Ce—N35—C39 | −147.9 (5) |
C12—C5—C9—C10 | −62.8 (8) | Si11—Ce—N35—C39 | −75.7 (5) |
C4—C5—C9—C10 | 170.2 (5) | C34—N35—C36—N31 | 63.6 (6) |
C6—C5—C9—C10 | 64.5 (7) | C39—N35—C36—N31 | −173.6 (5) |
C12—C5—C9—C8 | 179.3 (6) | Ce—N35—C36—N31 | −36.9 (5) |
C4—C5—C9—C8 | 52.3 (5) | C32—N31—C36—N35 | −63.2 (6) |
C6—C5—C9—C8 | −53.4 (5) | C37—N31—C36—N35 | 172.2 (6) |
C3—C8—C9—C11 | 65.9 (6) | Ce—N31—C36—N35 | 37.2 (5) |
C7—C8—C9—C11 | 174.4 (5) |