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The title compound, [Ce(C12H14F3O2)2(C6H18NSi2)(C6H15N3)], is a rare example of a structurally characterized lanthanide(III) camphorate. The CeIII atom shows a distorted trigonal–dodeca­hedral coordination, formed by the N atom of the amido ligand [Ce—N = 2.428 (5) Å], four O atoms of two η2-bonded camphorate groups [average Ce—O = 2.459 (4) Å] and three N atoms of a chelating triaza­cyclo­hexa­ne donor [average Ce—N = 2.808 (6) Å].

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805016193/hk6011sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805016193/hk6011Isup2.hkl
Contains datablock I

CCDC reference: 274437

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](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

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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

Computing details top

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.

bis[(+)-(1R,4R)-3-(trifluoroacetyl)camphorato- κ2O,O'][bis(trimethylsilyl)amido-κN](1,3,5-trimethyl-1,3,5- triazacyclohexane-κ3N,N',N'')cerium(III) top
Crystal data top
[Ce(C12H14F3O2)2(C6H18NSi2)(C6H15N3)]F(000) = 1908
Mr = 924.19Dx = 1.367 Mg m3
Orthorhombic, P212121Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2abCell parameters from 42 reflections
a = 10.170 (3) Åθ = 7.1–12.5°
b = 14.934 (4) ŵ = 1.13 mm1
c = 29.568 (8) ÅT = 173 K
V = 4491 (2) Å3Prism, orange-brown
Z = 40.50 × 0.45 × 0.35 mm
Data collection top
Rebuilt Syntex P21/Siemens P3 four-circle
diffractometer
6138 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.023
Graphite monochromatorθmax = 28.0°, θmin = 1.5°
Wyckoff scansh = 113
Absorption correction: ψ scan
(North et al., 1968)
k = 119
Tmin = 0.574, Tmax = 0.673l = 139
7383 measured reflections2 standard reflections every 298 reflections
7081 independent reflections intensity decay: 0.3%
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.041Only 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 reflectionsΔρmax = 1.38 e Å3
491 parametersΔρmin = 0.88 e Å3
15 restraintsAbsolute structure: Flack (1983), with 1079 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.013 (17)
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)
Ce0.68342 (2)0.49854 (2)0.114223 (8)0.02158 (7)
N10.8005 (5)0.3693 (3)0.08492 (15)0.0280 (9)
O10.8675 (3)0.5092 (3)0.16548 (11)0.0311 (9)
O20.5950 (3)0.5125 (3)0.19208 (12)0.0282 (8)
O30.7294 (4)0.5892 (3)0.04848 (13)0.0315 (9)
O40.7069 (4)0.6607 (3)0.13745 (12)0.0313 (9)
Si110.7963 (2)0.27900 (12)0.12016 (7)0.0352 (4)
C1110.9575 (9)0.2362 (7)0.1423 (3)0.073 (3)
H11A0.94160.19590.16780.072 (7)*
H11B1.01160.28680.15220.072 (7)*
H11C1.00350.20360.11820.072 (7)*
C1120.7091 (10)0.1788 (5)0.0942 (3)0.064 (2)
H11D0.70620.12980.11620.072 (7)*
H11E0.75700.15920.06710.072 (7)*
H11F0.61930.19580.08580.072 (7)*
C1130.7053 (7)0.3070 (4)0.1736 (2)0.0430 (16)
H11G0.68960.25210.19100.072 (7)*
H11H0.62090.33490.16610.072 (7)*
H11I0.75780.34860.19180.072 (7)*
Si210.91318 (18)0.38228 (12)0.04242 (6)0.0364 (4)
C1211.0309 (10)0.2862 (6)0.0346 (3)0.072 (3)
H12A0.98420.22950.03920.072 (7)*
H12B1.10250.29120.05670.072 (7)*
H12C1.06720.28790.00400.072 (7)*
C1221.0204 (6)0.4818 (6)0.0535 (3)0.057 (2)
H12D0.96710.53650.05220.072 (7)*
H12E1.08960.48480.03040.072 (7)*
H12F1.06050.47630.08350.072 (7)*
C1230.8389 (8)0.3974 (6)0.0148 (2)0.054 (2)
H12G0.79800.34120.02450.072 (7)*
H12H0.90760.41440.03640.072 (7)*
H12I0.77210.44460.01360.072 (7)*
C11.0249 (7)0.5436 (4)0.22032 (16)0.052 (2)
F11.0418 (10)0.6201 (5)0.2428 (3)0.0649 (10)*0.50
F21.1098 (9)0.5394 (7)0.1869 (3)0.0649 (10)*0.50
F31.0646 (9)0.4882 (6)0.2524 (3)0.0649 (10)*0.50
F1A1.0574 (10)0.5638 (7)0.2620 (2)0.0649 (10)*0.50
F2A1.0942 (10)0.5860 (6)0.1890 (3)0.0649 (10)*0.50
F3A1.0879 (10)0.4654 (5)0.2192 (3)0.0649 (10)*0.50
C20.8823 (6)0.5280 (4)0.20692 (18)0.0304 (12)
C30.7856 (6)0.5351 (4)0.23967 (19)0.0312 (12)
C40.6484 (5)0.5288 (4)0.22879 (18)0.0250 (11)
C50.5742 (6)0.5500 (4)0.27222 (18)0.0322 (13)
C60.5998 (7)0.6529 (4)0.2786 (2)0.0390 (15)
H6A0.58490.68580.25000.031 (6)*
H6B0.54210.67810.30230.031 (6)*
C70.7475 (6)0.6577 (5)0.2930 (2)0.0397 (15)
H7A0.79880.69610.27220.031 (6)*
H7B0.75670.68080.32420.031 (6)*
C80.7916 (6)0.5583 (5)0.28981 (18)0.0362 (14)
H8A0.87620.54350.30540.027 (11)*
C90.6684 (6)0.5082 (5)0.30771 (17)0.0375 (13)
C100.6340 (7)0.5317 (5)0.35735 (19)0.0492 (18)
H10A0.63570.59690.36130.057 (5)*
H10B0.69850.50410.37760.057 (5)*
H10C0.54600.50910.36450.057 (5)*
C110.6785 (8)0.4056 (5)0.3042 (2)0.0482 (17)
H11J0.73650.38300.32810.057 (5)*
H11K0.71450.38930.27460.057 (5)*
H11L0.59080.37920.30760.057 (5)*
C120.4303 (6)0.5252 (4)0.2716 (2)0.0400 (15)
H12J0.42140.46050.26690.057 (5)*
H12K0.38610.55730.24700.057 (5)*
H12L0.39000.54170.30060.057 (5)*
C130.8050 (8)0.6873 (4)0.0095 (2)0.0418 (15)
F40.7506 (6)0.7628 (3)0.02404 (14)0.0660 (15)
F50.9319 (6)0.6972 (5)0.01700 (17)0.0861 (18)
F60.7604 (7)0.6242 (3)0.03680 (14)0.087 (2)
C140.7733 (6)0.6672 (4)0.04012 (18)0.0295 (12)
C150.7939 (6)0.7342 (4)0.07094 (17)0.0284 (12)
C160.7567 (6)0.7259 (4)0.1174 (2)0.0255 (12)
C170.7857 (7)0.8157 (4)0.1395 (2)0.0354 (14)
C180.6807 (7)0.8796 (4)0.1182 (2)0.0449 (15)
H18A0.59190.85250.11960.031 (6)*
H18B0.67910.93780.13410.031 (6)*
C190.7250 (7)0.8915 (4)0.0687 (3)0.0455 (16)
H19A0.74890.95450.06230.031 (6)*
H19B0.65580.87210.04740.031 (6)*
C200.8463 (6)0.8297 (4)0.0663 (2)0.0327 (13)
H20A0.90550.84010.03980.027 (11)*
C210.9116 (6)0.8423 (4)0.1133 (2)0.0361 (13)
C220.9579 (8)0.9384 (5)0.1223 (2)0.0485 (17)
H22A0.88810.98050.11400.057 (5)*
H22B1.03660.95090.10430.057 (5)*
H22C0.97870.94530.15450.057 (5)*
C231.0270 (7)0.7793 (5)0.1220 (3)0.0479 (17)
H23A1.00020.71750.11570.057 (5)*
H23B1.05440.78430.15370.057 (5)*
H23C1.10060.79560.10220.057 (5)*
C240.7883 (9)0.8134 (5)0.1907 (2)0.052 (2)
H24A0.85500.77050.20080.057 (5)*
H24B0.70190.79510.20210.057 (5)*
H24C0.80980.87310.20230.057 (5)*
N310.4341 (6)0.5713 (3)0.1093 (2)0.0348 (13)
C320.3629 (5)0.4992 (6)0.13029 (19)0.0404 (12)
H32A0.27040.49920.11990.031 (7)*
H32B0.36400.50610.16360.031 (7)*
N330.4285 (6)0.4143 (4)0.1171 (2)0.0385 (13)
C340.4213 (7)0.4027 (4)0.0686 (2)0.0393 (16)
H34A0.32850.40170.05850.031 (7)*
H34B0.46350.34570.05950.031 (7)*
N350.4900 (5)0.4782 (3)0.04861 (15)0.0293 (11)
C360.4248 (7)0.5623 (4)0.0595 (2)0.0332 (14)
H36A0.33170.56080.04970.031 (7)*
H36B0.46930.61300.04430.031 (7)*
C370.3879 (8)0.6595 (5)0.1246 (3)0.051 (2)
H37A0.29400.66560.11800.065 (9)*
H37B0.43690.70650.10880.065 (9)*
H37C0.40210.66510.15730.065 (9)*
C380.3685 (9)0.3397 (6)0.1415 (3)0.061 (2)
H38A0.27440.33720.13460.065 (9)*
H38B0.38070.34830.17410.065 (9)*
H38C0.41030.28350.13220.065 (9)*
C390.4997 (7)0.4674 (5)0.0009 (2)0.0435 (16)
H39A0.41190.47210.01430.065 (9)*
H39B0.53730.40860.00790.065 (9)*
H39C0.55650.51440.01330.065 (9)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ce0.02102 (11)0.02051 (11)0.02322 (11)0.0001 (2)0.00155 (10)0.00048 (17)
N10.028 (2)0.027 (2)0.028 (2)0.001 (2)0.001 (2)0.0011 (17)
O10.0204 (14)0.046 (2)0.0267 (16)0.001 (2)0.0018 (13)0.002 (2)
O20.0213 (15)0.034 (2)0.0292 (16)0.0030 (19)0.0005 (13)0.0025 (17)
O30.035 (2)0.0294 (18)0.0296 (19)0.0075 (18)0.0045 (17)0.0007 (16)
O40.037 (2)0.0268 (18)0.0303 (19)0.0029 (18)0.0026 (18)0.0015 (15)
Si110.0354 (10)0.0289 (8)0.0413 (10)0.0061 (8)0.0043 (10)0.0015 (7)
C1110.051 (5)0.095 (7)0.073 (6)0.033 (5)0.004 (5)0.033 (5)
C1120.081 (6)0.030 (3)0.082 (6)0.003 (4)0.005 (5)0.000 (4)
C1130.041 (4)0.037 (3)0.052 (4)0.001 (3)0.002 (3)0.012 (3)
Si210.0353 (9)0.0411 (9)0.0329 (8)0.0079 (8)0.0016 (7)0.0035 (7)
C1210.083 (7)0.073 (6)0.060 (5)0.041 (5)0.027 (5)0.007 (4)
C1220.024 (3)0.086 (7)0.060 (4)0.007 (4)0.001 (3)0.001 (4)
C1230.053 (5)0.077 (5)0.033 (3)0.009 (4)0.003 (3)0.006 (3)
C10.026 (3)0.095 (6)0.036 (3)0.011 (4)0.004 (3)0.008 (4)
C20.024 (3)0.040 (3)0.027 (2)0.000 (2)0.004 (2)0.003 (2)
C30.025 (3)0.037 (3)0.032 (3)0.002 (2)0.001 (2)0.003 (2)
C40.021 (2)0.028 (2)0.026 (2)0.002 (2)0.005 (2)0.0014 (19)
C50.028 (3)0.045 (3)0.023 (2)0.004 (3)0.005 (2)0.001 (2)
C60.037 (3)0.042 (3)0.038 (3)0.004 (3)0.004 (3)0.006 (3)
C70.034 (3)0.052 (4)0.034 (3)0.005 (3)0.002 (3)0.014 (3)
C80.029 (3)0.058 (4)0.021 (2)0.003 (3)0.003 (2)0.006 (3)
C90.034 (3)0.052 (4)0.026 (2)0.003 (4)0.000 (2)0.003 (3)
C100.050 (4)0.074 (5)0.023 (3)0.009 (4)0.000 (3)0.003 (3)
C110.056 (4)0.054 (4)0.035 (3)0.005 (4)0.002 (3)0.013 (3)
C120.032 (3)0.053 (4)0.034 (3)0.003 (3)0.007 (3)0.000 (3)
C130.057 (4)0.039 (3)0.030 (3)0.012 (4)0.007 (3)0.001 (2)
F40.108 (4)0.051 (2)0.040 (2)0.003 (3)0.005 (3)0.0160 (19)
F50.062 (3)0.141 (5)0.055 (3)0.002 (4)0.029 (3)0.011 (3)
F60.178 (7)0.051 (2)0.032 (2)0.044 (4)0.003 (3)0.0047 (18)
C140.030 (3)0.033 (3)0.026 (2)0.005 (2)0.001 (2)0.003 (2)
C150.032 (3)0.032 (3)0.021 (2)0.005 (2)0.005 (2)0.004 (2)
C160.024 (3)0.023 (2)0.029 (3)0.001 (2)0.002 (3)0.001 (2)
C170.043 (4)0.025 (3)0.038 (3)0.007 (3)0.006 (3)0.005 (2)
C180.045 (3)0.023 (2)0.067 (4)0.001 (3)0.004 (4)0.005 (3)
C190.052 (4)0.023 (3)0.062 (4)0.000 (3)0.011 (4)0.005 (3)
C200.031 (3)0.033 (3)0.034 (3)0.011 (3)0.003 (2)0.001 (2)
C210.037 (3)0.033 (3)0.038 (3)0.009 (3)0.002 (3)0.001 (3)
C220.061 (4)0.044 (3)0.040 (3)0.024 (4)0.002 (3)0.005 (3)
C230.035 (4)0.049 (4)0.060 (5)0.006 (3)0.008 (4)0.002 (3)
C240.077 (6)0.042 (3)0.038 (3)0.014 (4)0.015 (4)0.010 (3)
N310.030 (3)0.034 (2)0.040 (3)0.010 (2)0.007 (3)0.002 (2)
C320.019 (2)0.062 (4)0.040 (3)0.002 (5)0.001 (2)0.006 (4)
N330.030 (3)0.041 (3)0.045 (3)0.006 (3)0.007 (3)0.010 (3)
C340.030 (3)0.029 (3)0.059 (4)0.005 (3)0.013 (3)0.003 (3)
N350.032 (2)0.027 (3)0.028 (2)0.0013 (19)0.0069 (19)0.0005 (17)
C360.035 (3)0.022 (3)0.043 (3)0.003 (3)0.018 (3)0.002 (2)
C370.048 (4)0.050 (4)0.055 (5)0.024 (4)0.011 (4)0.013 (3)
C380.044 (4)0.067 (5)0.073 (6)0.016 (4)0.003 (4)0.032 (5)
C390.052 (4)0.043 (3)0.036 (3)0.004 (3)0.013 (3)0.009 (3)
Geometric parameters (Å, º) top
Ce—O12.414 (3)C10—H10A0.9800
Ce—O22.480 (4)C10—H10B0.9800
Ce—O32.415 (4)C10—H10C0.9800
Ce—O42.528 (4)C11—H11J0.9800
Ce—N12.428 (5)C11—H11K0.9800
Ce—N312.762 (6)C11—H11L0.9800
Ce—N332.883 (6)C12—H12J0.9800
Ce—N352.780 (5)C12—H12K0.9800
Ce—Si113.478 (2)C12—H12L0.9800
N1—Si111.705 (5)C13—F51.318 (9)
N1—Si211.712 (5)C13—F61.320 (8)
O1—C21.266 (6)C13—F41.326 (8)
O2—C41.238 (6)C13—C141.533 (8)
O3—C141.271 (7)C14—C151.370 (8)
O4—C161.248 (7)C15—C161.429 (8)
Si11—C1111.877 (8)C15—C201.528 (7)
Si11—C1131.880 (7)C16—C171.521 (8)
Si11—C1121.901 (8)C17—C241.516 (8)
C111—H11A0.9800C17—C211.548 (9)
C111—H11B0.9800C17—C181.564 (9)
C111—H11C0.9800C18—C191.540 (10)
C112—H11D0.9800C18—H18A0.9900
C112—H11E0.9800C18—H18B0.9900
C112—H11F0.9800C19—C201.543 (9)
C113—H11G0.9800C19—H19A0.9900
C113—H11H0.9800C19—H19B0.9900
C113—H11I0.9800C20—C211.550 (9)
Si21—C1231.868 (7)C20—H20A1.0000
Si21—C1221.872 (8)C21—C231.527 (9)
Si21—C1211.883 (8)C21—C221.535 (8)
C121—H12A0.9800C22—H22A0.9800
C121—H12B0.9800C22—H22B0.9800
C121—H12C0.9800C22—H22C0.9800
C122—H12D0.9800C23—H23A0.9800
C122—H12E0.9800C23—H23B0.9800
C122—H12F0.9800C23—H23C0.9800
C123—H12G0.9800C24—H24A0.9800
C123—H12H0.9800C24—H24B0.9800
C123—H12I0.9800C24—H24C0.9800
C1—F1A1.310 (5)N31—C321.437 (9)
C1—F21.313 (5)N31—C371.469 (8)
C1—F31.322 (5)N31—C361.484 (8)
C1—F2A1.325 (5)C32—N331.485 (9)
C1—F11.332 (5)C32—H32A0.9900
C1—F3A1.333 (5)C32—H32B0.9900
C1—C21.521 (9)N33—C341.446 (10)
C2—C31.384 (8)N33—C381.462 (9)
C3—C41.436 (7)C34—N351.451 (8)
C3—C81.524 (7)C34—H34A0.9900
C4—C51.522 (7)C34—H34B0.9900
C5—C121.510 (8)N35—C361.456 (7)
C5—C91.552 (8)N35—C391.476 (8)
C5—C61.569 (9)C36—H36A0.9900
C6—C71.563 (9)C36—H36B0.9900
C6—H6A0.9900C37—H37A0.9800
C6—H6B0.9900C37—H37B0.9800
C7—C81.554 (9)C37—H37C0.9800
C7—H7A0.9900C38—H38A0.9800
C7—H7B0.9900C38—H38B0.9800
C8—C91.553 (8)C38—H38C0.9800
C8—H8A1.0000C39—H39A0.9800
C9—C111.539 (10)C39—H39B0.9800
C9—C101.549 (8)C39—H39C0.9800
O1—Ce—O272.10 (11)C9—C10—H10B109.5
O1—Ce—O3108.57 (14)H10A—C10—H10B109.5
O1—Ce—O472.12 (16)C9—C10—H10C109.5
O1—Ce—N184.03 (16)H10A—C10—H10C109.5
O1—Ce—N31135.94 (16)H10B—C10—H10C109.5
O1—Ce—N33135.07 (16)C9—C11—H11J109.5
O1—Ce—N35173.88 (13)C9—C11—H11K109.5
O2—Ce—O3140.37 (14)H11J—C11—H11K109.5
O2—Ce—O472.64 (13)C9—C11—H11L109.5
O2—Ce—N1125.16 (14)H11J—C11—H11L109.5
O2—Ce—N3171.50 (15)H11K—C11—H11L109.5
O2—Ce—N3371.56 (16)C5—C12—H12J109.5
O2—Ce—N35113.61 (13)C5—C12—H12K109.5
O3—Ce—O470.32 (13)H12J—C12—H12K109.5
O3—Ce—N193.65 (14)C5—C12—H12L109.5
O3—Ce—N3185.12 (16)H12J—C12—H12L109.5
O3—Ce—N33116.24 (16)H12K—C12—H12L109.5
O3—Ce—N3568.68 (14)F5—C13—F6108.3 (7)
O4—Ce—N1144.28 (15)F5—C13—F4105.0 (6)
O4—Ce—N3174.00 (15)F6—C13—F4105.4 (6)
O4—Ce—N33119.68 (16)F5—C13—C14112.8 (6)
O4—Ce—N35111.18 (13)F6—C13—C14111.9 (5)
N1—Ce—N31138.11 (17)F4—C13—C14112.9 (6)
N1—Ce—N3396.01 (17)O3—C14—C15126.4 (5)
N1—Ce—N3590.64 (15)O3—C14—C13116.1 (5)
N31—Ce—N3349.28 (15)C15—C14—C13117.5 (5)
N31—Ce—N3549.98 (15)C14—C15—C16122.4 (5)
N33—Ce—N3548.40 (16)C14—C15—C20132.5 (5)
Si11—N1—Si21123.7 (3)C16—C15—C20105.0 (5)
Si11—N1—Ce113.5 (2)O4—C16—C15129.2 (5)
Si21—N1—Ce120.0 (2)O4—C16—C17124.3 (6)
C2—O1—Ce135.6 (3)C15—C16—C17106.5 (5)
C4—O2—Ce132.2 (3)C24—C17—C16114.4 (5)
C14—O3—Ce137.6 (4)C24—C17—C21119.4 (6)
C16—O4—Ce131.1 (4)C16—C17—C2199.9 (5)
N1—Si11—C111117.4 (4)C24—C17—C18115.4 (6)
N1—Si11—C113110.5 (3)C16—C17—C18103.5 (5)
C111—Si11—C113102.3 (4)C21—C17—C18102.0 (5)
N1—Si11—C112112.8 (3)C19—C18—C17104.6 (5)
C111—Si11—C112106.3 (4)C19—C18—H18A110.8
C113—Si11—C112106.6 (4)C17—C18—H18A110.8
Si11—C111—H11A109.5C19—C18—H18B110.8
Si11—C111—H11B109.5C17—C18—H18B110.8
H11A—C111—H11B109.5H18A—C18—H18B108.9
Si11—C111—H11C109.5C18—C19—C20102.1 (5)
H11A—C111—H11C109.5C18—C19—H19A111.4
H11B—C111—H11C109.5C20—C19—H19A111.4
Si11—C112—H11D109.5C18—C19—H19B111.4
Si11—C112—H11E109.5C20—C19—H19B111.4
H11D—C112—H11E109.5H19A—C19—H19B109.2
Si11—C112—H11F109.5C15—C20—C19106.0 (5)
H11D—C112—H11F109.5C15—C20—C21100.5 (5)
H11E—C112—H11F109.5C19—C20—C21103.2 (5)
Si11—C113—H11G109.5C15—C20—H20A115.2
Si11—C113—H11H109.5C19—C20—H20A115.2
H11G—C113—H11H109.5C21—C20—H20A115.2
Si11—C113—H11I109.5C23—C21—C22108.1 (6)
H11G—C113—H11I109.5C23—C21—C17113.2 (5)
H11H—C113—H11I109.5C22—C21—C17114.0 (6)
N1—Si21—C123114.1 (3)C23—C21—C20113.9 (6)
N1—Si21—C122110.6 (3)C22—C21—C20113.7 (5)
C123—Si21—C122107.3 (4)C17—C21—C2093.6 (5)
N1—Si21—C121115.4 (3)C21—C22—H22A109.5
C123—Si21—C121103.8 (4)C21—C22—H22B109.5
C122—Si21—C121104.9 (4)H22A—C22—H22B109.5
Si21—C121—H12A109.5C21—C22—H22C109.5
Si21—C121—H12B109.5H22A—C22—H22C109.5
H12A—C121—H12B109.5H22B—C22—H22C109.5
Si21—C121—H12C109.5C21—C23—H23A109.5
H12A—C121—H12C109.5C21—C23—H23B109.5
H12B—C121—H12C109.5H23A—C23—H23B109.5
Si21—C122—H12D109.5C21—C23—H23C109.5
Si21—C122—H12E109.5H23A—C23—H23C109.5
H12D—C122—H12E109.5H23B—C23—H23C109.5
Si21—C122—H12F109.5C17—C24—H24A109.5
H12D—C122—H12F109.5C17—C24—H24B109.5
H12E—C122—H12F109.5H24A—C24—H24B109.5
Si21—C123—H12G109.5C17—C24—H24C109.5
Si21—C123—H12H109.5H24A—C24—H24C109.5
H12G—C123—H12H109.5H24B—C24—H24C109.5
Si21—C123—H12I109.5C32—N31—C37112.2 (6)
H12G—C123—H12I109.5C32—N31—C36109.2 (5)
H12H—C123—H12I109.5C37—N31—C36111.5 (5)
F2—C1—F3108.0 (8)C32—N31—Ce98.3 (3)
F1A—C1—F2A114.4 (8)C37—N31—Ce129.0 (5)
F2—C1—F1109.3 (8)C36—N31—Ce94.3 (4)
F3—C1—F198.0 (7)N31—C32—N33107.4 (4)
F2A—C1—F3A98.4 (7)N31—C32—H32A110.2
F1A—C1—C2121.4 (6)N33—C32—H32A110.2
F2—C1—C2115.1 (6)N31—C32—H32B110.2
F3—C1—C2112.4 (6)N33—C32—H32B110.2
F2A—C1—C2113.5 (7)H32A—C32—H32B108.5
F1—C1—C2112.7 (7)C34—N33—C38112.2 (6)
F3A—C1—C2108.5 (7)C34—N33—C32109.9 (5)
O1—C2—C3127.6 (5)C38—N33—C32109.5 (6)
O1—C2—C1113.5 (5)C34—N33—Ce94.0 (4)
C3—C2—C1118.9 (5)C38—N33—Ce136.2 (5)
C2—C3—C4121.9 (5)C32—N33—Ce92.2 (3)
C2—C3—C8132.1 (5)N33—C34—N35106.6 (5)
C4—C3—C8105.7 (5)N33—C34—H34A110.4
O2—C4—C3129.4 (5)N35—C34—H34A110.4
O2—C4—C5124.3 (5)N33—C34—H34B110.4
C3—C4—C5106.2 (5)N35—C34—H34B110.4
C12—C5—C4114.8 (5)H34A—C34—H34B108.6
C12—C5—C9120.5 (5)C34—N35—C36111.2 (5)
C4—C5—C9100.4 (4)C34—N35—C39110.5 (5)
C12—C5—C6113.7 (5)C36—N35—C39110.1 (5)
C4—C5—C6102.8 (5)C34—N35—Ce98.2 (3)
C9—C5—C6102.2 (5)C36—N35—Ce94.2 (3)
C7—C6—C5103.7 (5)C39—N35—Ce131.0 (4)
C7—C6—H6A111.0N35—C36—N31105.6 (4)
C5—C6—H6A111.0N35—C36—H36A110.6
C7—C6—H6B111.0N31—C36—H36A110.6
C5—C6—H6B111.0N35—C36—H36B110.6
H6A—C6—H6B109.0N31—C36—H36B110.6
C8—C7—C6102.5 (5)H36A—C36—H36B108.8
C8—C7—H7A111.3N31—C37—H37A109.5
C6—C7—H7A111.3N31—C37—H37B109.5
C8—C7—H7B111.3H37A—C37—H37B109.5
C6—C7—H7B111.3N31—C37—H37C109.5
H7A—C7—H7B109.2H37A—C37—H37C109.5
C3—C8—C9100.9 (5)H37B—C37—H37C109.5
C3—C8—C7105.4 (5)N33—C38—H38A109.5
C9—C8—C7101.9 (5)N33—C38—H38B109.5
C3—C8—H8A115.5H38A—C38—H38B109.5
C9—C8—H8A115.5N33—C38—H38C109.5
C7—C8—H8A115.5H38A—C38—H38C109.5
C11—C9—C10107.8 (5)H38B—C38—H38C109.5
C11—C9—C5113.3 (5)N35—C39—H39A109.5
C10—C9—C5114.2 (6)N35—C39—H39B109.5
C11—C9—C8113.8 (6)H39A—C39—H39B109.5
C10—C9—C8113.3 (5)N35—C39—H39C109.5
C5—C9—C894.2 (5)H39A—C39—H39C109.5
C9—C10—H10A109.5H39B—C39—H39C109.5
O1—Ce—N1—Si1172.7 (3)C3—C8—C9—C10170.5 (6)
O3—Ce—N1—Si11179.0 (3)C7—C8—C9—C1062.0 (7)
O2—Ce—N1—Si119.6 (3)C3—C8—C9—C551.9 (5)
O4—Ce—N1—Si11120.3 (3)C7—C8—C9—C556.6 (5)
N31—Ce—N1—Si1192.2 (3)Ce—O3—C14—C1510.3 (10)
N35—Ce—N1—Si11110.3 (3)Ce—O3—C14—C13170.2 (5)
N33—Ce—N1—Si1162.1 (3)F5—C13—C14—O3111.9 (7)
O1—Ce—N1—Si2189.1 (3)F6—C13—C14—O310.5 (9)
O3—Ce—N1—Si2119.2 (3)F4—C13—C14—O3129.3 (6)
O2—Ce—N1—Si21152.3 (2)F5—C13—C14—C1568.5 (8)
O4—Ce—N1—Si2141.5 (4)F6—C13—C14—C15169.0 (7)
N31—Ce—N1—Si21106.0 (3)F4—C13—C14—C1550.3 (9)
N35—Ce—N1—Si2187.9 (3)O3—C14—C15—C165.4 (10)
N33—Ce—N1—Si21136.1 (3)C13—C14—C15—C16174.2 (6)
Si11—Ce—N1—Si21161.8 (5)O3—C14—C15—C20179.4 (6)
O3—Ce—O1—C2127.6 (6)C13—C14—C15—C201.1 (10)
N1—Ce—O1—C2140.6 (6)Ce—O4—C16—C1513.7 (10)
O2—Ce—O1—C210.6 (6)Ce—O4—C16—C17168.2 (4)
O4—Ce—O1—C266.4 (6)C14—C15—C16—O42.6 (10)
N31—Ce—O1—C225.0 (7)C20—C15—C16—O4179.0 (6)
N33—Ce—O1—C248.0 (7)C14—C15—C16—C17175.8 (6)
Si11—Ce—O1—C2114.4 (6)C20—C15—C16—C170.6 (6)
O1—Ce—O2—C48.5 (5)O4—C16—C17—C2417.4 (10)
O3—Ce—O2—C489.2 (5)C15—C16—C17—C24164.1 (6)
N1—Ce—O2—C477.4 (5)O4—C16—C17—C21146.2 (6)
O4—Ce—O2—C467.7 (5)C15—C16—C17—C2135.3 (6)
N31—Ce—O2—C4146.2 (5)O4—C16—C17—C18108.8 (7)
N35—Ce—O2—C4173.8 (5)C15—C16—C17—C1869.6 (6)
N33—Ce—O2—C4161.7 (5)C24—C17—C18—C19163.4 (6)
Si11—Ce—O2—C481.7 (5)C16—C17—C18—C1970.9 (6)
O1—Ce—O3—C1445.8 (6)C21—C17—C18—C1932.4 (6)
N1—Ce—O3—C14130.7 (6)C17—C18—C19—C202.7 (6)
O2—Ce—O3—C1438.3 (7)C14—C15—C20—C19103.1 (8)
O4—Ce—O3—C1416.6 (6)C16—C15—C20—C1972.7 (6)
N31—Ce—O3—C1491.3 (6)C14—C15—C20—C21149.8 (7)
N35—Ce—O3—C14140.0 (6)C16—C15—C20—C2134.4 (6)
N33—Ce—O3—C14130.8 (6)C18—C19—C20—C1568.0 (6)
Si11—Ce—O3—C14131.3 (6)C18—C19—C20—C2137.2 (6)
O1—Ce—O4—C16100.8 (5)C24—C17—C21—C2360.8 (8)
O3—Ce—O4—C1617.3 (5)C16—C17—C21—C2364.5 (7)
N1—Ce—O4—C1650.3 (6)C18—C17—C21—C23170.7 (5)
O2—Ce—O4—C16177.1 (5)C24—C17—C21—C2263.2 (8)
N31—Ce—O4—C16107.8 (5)C16—C17—C21—C22171.4 (6)
N35—Ce—O4—C1673.7 (5)C18—C17—C21—C2265.2 (6)
N33—Ce—O4—C16126.9 (5)C24—C17—C21—C20178.8 (6)
Si11—Ce—O4—C1699.3 (5)C16—C17—C21—C2053.4 (5)
Si21—N1—Si11—C11142.3 (5)C18—C17—C21—C2052.7 (5)
Ce—N1—Si11—C111118.7 (4)C15—C20—C21—C2363.9 (6)
Si21—N1—Si11—C113159.1 (3)C19—C20—C21—C23173.2 (5)
Ce—N1—Si11—C1132.0 (4)C15—C20—C21—C22171.7 (6)
Si21—N1—Si11—C11281.7 (5)C19—C20—C21—C2262.3 (7)
Ce—N1—Si11—C112117.2 (4)C15—C20—C21—C1753.5 (5)
Si21—N1—Si11—Ce161.1 (5)C19—C20—C21—C1755.9 (5)
O1—Ce—Si11—N1102.9 (3)O1—Ce—N31—C3295.4 (4)
O3—Ce—Si11—N11.2 (3)O3—Ce—N31—C32152.8 (4)
O2—Ce—Si11—N1172.1 (3)N1—Ce—N31—C3262.7 (5)
O4—Ce—Si11—N1101.4 (3)O2—Ce—N31—C3259.7 (4)
N31—Ce—Si11—N1115.1 (3)O4—Ce—N31—C32136.3 (4)
N35—Ce—Si11—N172.0 (3)N35—Ce—N31—C3286.6 (4)
N33—Ce—Si11—N1117.8 (3)N33—Ce—N31—C3221.6 (3)
O1—Ce—Si11—C11115.3 (4)Si11—Ce—N31—C3225.2 (5)
O3—Ce—Si11—C11188.7 (4)O1—Ce—N31—C3732.2 (7)
N1—Ce—Si11—C11187.5 (5)O3—Ce—N31—C3779.6 (6)
O2—Ce—Si11—C11184.6 (4)N1—Ce—N31—C37169.6 (5)
O4—Ce—Si11—C11113.9 (5)O2—Ce—N31—C3767.9 (6)
N31—Ce—Si11—C111157.4 (4)O4—Ce—N31—C378.7 (6)
N35—Ce—Si11—C111159.5 (4)N35—Ce—N31—C37145.7 (7)
N33—Ce—Si11—C111154.7 (4)N33—Ce—N31—C37149.2 (7)
O1—Ce—Si11—C11375.2 (3)Si11—Ce—N31—C37152.8 (5)
O3—Ce—Si11—C113179.3 (3)O1—Ce—N31—C36154.5 (3)
N1—Ce—Si11—C113178.0 (4)O3—Ce—N31—C3642.7 (3)
O2—Ce—Si11—C1136.0 (3)N1—Ce—N31—C3647.4 (5)
O4—Ce—Si11—C11376.6 (3)O2—Ce—N31—C36169.8 (4)
N31—Ce—Si11—C11366.9 (3)O4—Ce—N31—C36113.6 (4)
N35—Ce—Si11—C113109.9 (3)N35—Ce—N31—C3623.4 (3)
N33—Ce—Si11—C11364.2 (3)N33—Ce—N31—C3688.5 (4)
O1—Ce—Si11—C112172.5 (4)Si11—Ce—N31—C3684.9 (4)
O3—Ce—Si11—C11283.5 (4)C37—N31—C32—N33172.9 (6)
N1—Ce—Si11—C11284.7 (4)C36—N31—C32—N3363.0 (6)
O2—Ce—Si11—C112103.2 (4)Ce—N31—C32—N3334.5 (4)
O4—Ce—Si11—C112173.9 (4)N31—C32—N33—C3462.5 (6)
N31—Ce—Si11—C11230.4 (4)N31—C32—N33—C38173.8 (6)
N35—Ce—Si11—C11212.7 (4)N31—C32—N33—Ce32.5 (4)
N33—Ce—Si11—C11233.1 (4)O1—Ce—N33—C34151.8 (3)
Si11—N1—Si21—C123122.9 (4)O3—Ce—N33—C3432.9 (4)
Ce—N1—Si21—C12377.2 (4)N1—Ce—N33—C3464.2 (4)
Si11—N1—Si21—C122116.0 (4)O2—Ce—N33—C34170.7 (4)
Ce—N1—Si21—C12243.9 (4)O4—Ce—N33—C34114.1 (4)
Si11—N1—Si21—C1212.8 (5)N31—Ce—N33—C3489.5 (4)
Ce—N1—Si21—C121162.7 (4)N35—Ce—N33—C3421.3 (3)
Ce—O1—C2—C312.1 (10)Si11—Ce—N33—C3487.8 (4)
Ce—O1—C2—C1168.0 (4)O1—Ce—N33—C3823.5 (9)
F1A—C1—C2—O1179.9 (7)O3—Ce—N33—C38161.2 (8)
F2—C1—C2—O12.9 (9)N1—Ce—N33—C3864.1 (8)
F3—C1—C2—O1121.3 (7)O2—Ce—N33—C3861.0 (8)
F2A—C1—C2—O137.5 (9)O4—Ce—N33—C38117.5 (8)
F1—C1—C2—O1129.1 (7)N31—Ce—N33—C38142.1 (9)
F3A—C1—C2—O170.7 (7)N35—Ce—N33—C38149.6 (9)
F1A—C1—C2—C30.2 (10)Si11—Ce—N33—C3840.5 (8)
F2—C1—C2—C3177.2 (7)O1—Ce—N33—C3298.0 (4)
F3—C1—C2—C358.6 (8)O3—Ce—N33—C3277.3 (4)
F2A—C1—C2—C3142.7 (7)N1—Ce—N33—C32174.4 (3)
F1—C1—C2—C351.1 (8)O2—Ce—N33—C3260.5 (3)
F3A—C1—C2—C3109.2 (7)O4—Ce—N33—C324.0 (4)
O1—C2—C3—C45.6 (10)N31—Ce—N33—C3220.6 (3)
C1—C2—C3—C4174.5 (6)N35—Ce—N33—C3288.9 (4)
O1—C2—C3—C8179.0 (6)Si11—Ce—N33—C32162.0 (4)
C1—C2—C3—C81.2 (10)C38—N33—C34—N35177.0 (6)
Ce—O2—C4—C38.4 (10)C32—N33—C34—N3561.0 (7)
Ce—O2—C4—C5169.3 (4)Ce—N33—C34—N3532.8 (5)
C2—C3—C4—O24.1 (11)N33—C34—N35—C3663.3 (6)
C8—C3—C4—O2179.0 (6)N33—C34—N35—C39174.2 (5)
C2—C3—C4—C5173.9 (6)N33—C34—N35—Ce34.5 (5)
C8—C3—C4—C51.0 (7)O3—Ce—N35—C34169.8 (4)
O2—C4—C5—C1216.3 (9)N1—Ce—N35—C3476.1 (4)
C3—C4—C5—C12165.5 (5)O2—Ce—N35—C3453.2 (4)
O2—C4—C5—C9147.1 (6)O4—Ce—N35—C34132.8 (3)
C3—C4—C5—C934.8 (6)N31—Ce—N35—C3488.2 (4)
O2—C4—C5—C6107.7 (6)N33—Ce—N35—C3421.4 (4)
C3—C4—C5—C670.4 (6)Si11—Ce—N35—C3450.8 (4)
C12—C5—C6—C7163.0 (5)O3—Ce—N35—C3678.1 (3)
C4—C5—C6—C772.3 (5)N1—Ce—N35—C36171.8 (4)
C9—C5—C6—C731.5 (6)O2—Ce—N35—C3658.9 (4)
C5—C6—C7—C84.0 (6)O4—Ce—N35—C3620.7 (4)
C2—C3—C8—C9152.7 (7)N31—Ce—N35—C3623.9 (3)
C4—C3—C8—C933.1 (6)N33—Ce—N35—C3690.7 (4)
C2—C3—C8—C7101.5 (8)Si11—Ce—N35—C36162.9 (3)
C4—C3—C8—C772.6 (6)O3—Ce—N35—C3943.3 (5)
C6—C7—C8—C366.7 (6)N1—Ce—N35—C3950.4 (5)
C6—C7—C8—C938.3 (6)O2—Ce—N35—C39179.7 (5)
C12—C5—C9—C1161.2 (8)O4—Ce—N35—C39100.7 (5)
C4—C5—C9—C1165.9 (6)N31—Ce—N35—C39145.3 (5)
C6—C5—C9—C11171.6 (5)N33—Ce—N35—C39147.9 (5)
C12—C5—C9—C1062.8 (8)Si11—Ce—N35—C3975.7 (5)
C4—C5—C9—C10170.2 (5)C34—N35—C36—N3163.6 (6)
C6—C5—C9—C1064.5 (7)C39—N35—C36—N31173.6 (5)
C12—C5—C9—C8179.3 (6)Ce—N35—C36—N3136.9 (5)
C4—C5—C9—C852.3 (5)C32—N31—C36—N3563.2 (6)
C6—C5—C9—C853.4 (5)C37—N31—C36—N35172.2 (6)
C3—C8—C9—C1165.9 (6)Ce—N31—C36—N3537.2 (5)
C7—C8—C9—C11174.4 (5)
 

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