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Acta Cryst. (2007). E63, m1656    [ doi:10.1107/S1600536807022209 ]

(Bipyridyl-[kappa]2N,N')bis([eta]5-pentamethylcyclopentadienyl)(trifluoromethanesulfonato-[kappa]O)cerium(III)

D. Kazhdan, W. A. Chomitz, W. H. Harman, T. M. Hoette and C.-H. Park

Abstract top

The title compound, [Ce(CF3SO3)(C10H15)2(C10H8N2)], crystallizes as a bent metallocene with an inner-sphere trifluoromethanesulfonate ligand [Cg1-Ce-Cg2 = 138.91 (1) Å; Cg1 and Cg2 are the centroids of the cyclopentadienyl rings]. The pentamethylcyclopentadienyl rings have a slightly staggered conformation. The bipyridine ligand has an N-C-C-N torsion angle of -8.2 (7)°.

Comment top

In the title compound, (η5-cp*)2Ce(2,2-bipyridine)(OTf), [Cp* is pentamethylcyclopentadienyl and OTf is trifluoromethanesulfonate], the Cp* rings are slightly staggered. Table 1 lists selected bond lengths and angles. The cyclopentadienyl ligands are represented by Cg1 and Cg2, where Cg1 and Cg2 are the centroids of the C1—C5 and C6—C10 rings, respectively. The Ce1—Cg1 and Ce1—Cg2 distances are similar to those observed in (η5-Cp*)2Ce(CH3CN)2 (2.53 Å; Hazin et al., 1988). The two pyridine rings of the bipyridine ligand are not coplanar. The N1—C25—C26—N2 torsion angle of -8.2 (7)° is not uncommon for neutral bipyridine bound to a lanthanide (Schultz et al., 2002). The trifluoromethanesulfonate anion is bound inner-sphere.

Related literature top

For related literature, see: Hazin et al. (1988); Schultz et al. (2002).

Experimental top

(η5-C5Me5)2Ce(OTf) (1.4 g, 2.4 mmol) and bipy (0.41 g, 2.6 mmol) were mixed in pentane (50 ml) with stirring. After stirring the solution overnight, the resulting yellow-red solution was then filtered and the filtrate was taken to dryness. The product is insoluble in pentane and toluene, and THF displaces the bipy. The product was crystallized by layering pentane onto a concentrated dichloromethane solution and then recrystallized in a similar manner, yielding red crystals (yield 0.58 g, 33%; m.p.: 483–485 K). Analysis calculated for C31H38CeF3N2O3S: C 52.02, H 5.35, N 3.91; found: C 52.03, H 5.37, N 3.91. The crystal was handled under nitrogen atmosphere, mounted on a glass fiber with Paratone-N oil and cooled to 140 (2) K for data collection.

Refinement top

H atoms were placed in calculated positions, with C—H = 0.95–0.96 Å and Uiso(H) = 1.2Ueq(C).

Computing details top

Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT and XPREP (Bruker, 2001); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: TEXSAN (Molecular Structure Corporation, 1998); molecular graphics: TEXSAN; software used to prepare material for publication: TEXSAN.

Figures top
[Figure 1] Fig. 1. The molecular structure of the title compound. Displacement ellipsoids drawn at the 50% probability level. Hydrogen atoms have been omitted for clarity.
(Bipyridyl-κ2N,N')bis(η5-pentamethylcyclopentadienyl) (trifluoromethanesulfonato-κO)cerium(III) top
Crystal data top
[Ce(CF3O3S)(C10H15)2(C10H8N2)]F(000) = 1452.00
Mr = 715.83Dx = 1.576 Mg m−3
Monoclinic, P21/nMelting point = 483–485 K
Hall symbol: -P 2ynMo Kα radiation, λ = 0.7107 Å
a = 12.162 (1) ÅCell parameters from 4314 reflections
b = 15.377 (2) Åθ = 2.5–24.7°
c = 16.132 (1) ŵ = 1.63 mm−1
β = 90.938 (2)°T = 140 K
V = 3016.6 (5) Å3Rectangular block, dark brown
Z = 40.21 × 0.11 × 0.10 mm
Data collection top
Bruker SMART 1000 CCD area-detector
diffractometer		3297 reflections with F2 > 3σ(F2)
ω scansRint = 0.042
Absorption correction: multi-scan
(SADABS; Bruker, 2003; Blessing, 1995)		θmax = 24.7°
Tmin = 0.705, Tmax = 0.850h = 0→14
13359 measured reflectionsk = 0→17
4860 independent reflectionsl = −18→18
Refinement top
Refinement on FH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.035 w = 1/[σ2(Fo) + 0.00022|Fo|2]
wR(F2) = 0.041(Δ/σ)max = 0.0004
S = 1.38Δρmax = 0.72 e Å−3
4860 reflectionsΔρmin = −1.12 e Å−3
370 parameters
Crystal data top
[Ce(CF3O3S)(C10H15)2(C10H8N2)]V = 3016.6 (5) Å3
Mr = 715.83Z = 4
Monoclinic, P21/nMo Kα radiation
a = 12.162 (1) ŵ = 1.63 mm−1
b = 15.377 (2) ÅT = 140 K
c = 16.132 (1) Å0.21 × 0.11 × 0.10 mm
β = 90.938 (2)°
Data collection top
Bruker SMART 1000 CCD area-detector
diffractometer		4860 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2003; Blessing, 1995)		3297 reflections with F2 > 3σ(F2)
Tmin = 0.705, Tmax = 0.850Rint = 0.042
13359 measured reflectionsθmax = 24.7°
Refinement top
R[F2 > 2σ(F2)] = 0.035H-atom parameters constrained
wR(F2) = 0.041Δρmax = 0.72 e Å−3
S = 1.38Δρmin = −1.12 e Å−3
4860 reflectionsAbsolute structure: ?
370 parametersFlack parameter: ?
? restraintsRogers parameter: ?
Special details top

Geometry. no

Refinement. Refinement using reflections with F2 > 3.0 σ(F2). The weighted R-factor (wR), goodness of fit (S) and R-factor (gt) are based on F, with F set to zero for negative F. The threshold expression of F2 > 3.0 σ(F2) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ce10.23757 (2)0.24695 (2)0.02756 (2)0.01241 (8)
S10.1044 (1)0.14345 (9)−0.18477 (8)0.0167 (4)
F10.1436 (3)−0.0242 (2)−0.1591 (2)0.031 (1)
F20.1205 (3)0.0124 (2)−0.2862 (2)0.035 (1)
F30.2719 (3)0.0429 (2)−0.2222 (2)0.030 (1)
O10.1646 (3)0.1686 (2)−0.1088 (2)0.016 (1)
O20.1286 (3)0.1959 (2)−0.2561 (2)0.024 (1)
O3−0.0092 (3)0.1232 (2)−0.1720 (2)0.024 (1)
N10.1725 (3)0.3264 (3)0.1606 (3)0.016 (1)
N20.0216 (4)0.2675 (3)0.0503 (3)0.020 (1)
C10.4088 (4)0.3454 (4)−0.0422 (3)0.020 (2)
C20.3691 (5)0.3996 (3)0.0208 (3)0.021 (2)
C30.2612 (5)0.4267 (3)−0.0013 (4)0.019 (2)
C40.2343 (5)0.3885 (4)−0.0787 (3)0.020 (2)
C50.3260 (5)0.3388 (3)−0.1045 (3)0.019 (2)
C60.3959 (4)0.1369 (3)0.1037 (3)0.016 (2)
C70.3376 (5)0.0891 (3)0.0413 (3)0.016 (2)
C80.2291 (5)0.0745 (3)0.0703 (3)0.017 (2)
C90.2203 (4)0.1134 (3)0.1498 (3)0.017 (2)
C100.3243 (5)0.1501 (3)0.1702 (3)0.017 (2)
C110.5252 (5)0.3135 (4)−0.0518 (4)0.035 (2)
C120.4391 (6)0.4341 (4)0.0920 (4)0.036 (2)
C130.1903 (6)0.4916 (4)0.0417 (4)0.037 (2)
C140.1287 (5)0.4018 (4)−0.1287 (4)0.030 (2)
C150.3436 (5)0.2970 (4)−0.1873 (4)0.027 (2)
C160.5164 (5)0.1562 (4)0.1060 (4)0.026 (2)
C170.3811 (5)0.0626 (4)−0.0411 (4)0.026 (2)
C180.1396 (5)0.0212 (4)0.0293 (4)0.029 (2)
C190.1235 (5)0.1100 (4)0.2046 (4)0.029 (2)
C200.3593 (5)0.1777 (4)0.2566 (3)0.025 (2)
C210.2497 (4)0.3563 (3)0.2142 (3)0.018 (2)
C220.2264 (5)0.4076 (4)0.2821 (3)0.022 (2)
C230.1198 (5)0.4304 (4)0.2964 (3)0.025 (2)
C240.0375 (5)0.3989 (4)0.2431 (3)0.022 (2)
C250.0667 (4)0.3470 (3)0.1758 (3)0.017 (2)
C26−0.0168 (4)0.3092 (3)0.1180 (3)0.015 (2)
C27−0.1290 (5)0.3157 (4)0.1323 (3)0.023 (2)
C28−0.2033 (5)0.2773 (4)0.0781 (4)0.024 (2)
C29−0.1645 (5)0.2348 (4)0.0096 (4)0.030 (2)
C30−0.0525 (5)0.2314 (4)−0.0017 (4)0.028 (2)
C310.1636 (5)0.0382 (4)−0.2135 (3)0.022 (2)
H11A0.52480.2581−0.07750.0416*
H11B0.56020.30970.00110.0416*
H11C0.56460.3536−0.08540.0416*
H12A0.46830.38670.12310.0447*
H12B0.49780.46770.07070.0447*
H12C0.39530.46930.12670.0447*
H13A0.12230.46520.05530.0452*
H13B0.22660.51070.09110.0452*
H13C0.17710.53980.00630.0452*
H14A0.06820.3823−0.09720.0358*
H14B0.12030.4615−0.14140.0358*
H14C0.13230.3690−0.17860.0358*
H15A0.36370.2379−0.17930.0331*
H15B0.27700.2997−0.21920.0331*
H15C0.39990.3268−0.21540.0331*
H16A0.55280.11590.14140.0316*
H16B0.54470.15150.05150.0316*
H16C0.52790.21360.12610.0316*
H17A0.41830.1104−0.06520.0310*
H17B0.43130.0157−0.03350.0310*
H17C0.32210.0449−0.07610.0310*
H18A0.1716−0.02730.00260.0351*
H18B0.10140.0560−0.01040.0351*
H18C0.08990.00170.07010.0351*
H19A0.13100.06450.24480.0339*
H19B0.05710.09990.17320.0339*
H19C0.11500.16390.23400.0339*
H20A0.42360.21260.25350.0296*
H20B0.30200.21020.28090.0296*
H20C0.37460.12760.28920.0296*
H210.32390.34160.20490.0208*
H220.28440.42630.31850.0258*
H230.10220.46640.34270.0303*
H24−0.03760.41290.25250.0260*
H27−0.15420.34680.17920.0277*
H28−0.27970.27980.08800.0288*
H29−0.21320.2084−0.02960.0358*
H30−0.02620.2021−0.04910.0344*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ce10.0125 (2)0.0120 (2)0.0127 (2)−0.0004 (2)−0.0016 (1)0.0009 (2)
S10.0177 (8)0.0176 (8)0.0146 (8)0.0002 (6)−0.0032 (6)−0.0003 (6)
F10.041 (2)0.020 (2)0.031 (2)−0.003 (2)0.002 (2)0.003 (2)
F20.047 (2)0.032 (2)0.025 (2)0.012 (2)−0.017 (2)−0.014 (2)
F30.018 (2)0.036 (2)0.036 (2)0.005 (2)0.005 (2)−0.003 (2)
O10.020 (2)0.016 (2)0.014 (2)−0.001 (2)−0.006 (2)−0.002 (2)
O20.030 (2)0.025 (2)0.017 (2)−0.002 (2)−0.002 (2)0.007 (2)
O30.017 (2)0.030 (2)0.026 (2)−0.003 (2)−0.002 (2)−0.005 (2)
N10.015 (3)0.017 (3)0.018 (3)−0.002 (2)0.000 (2)0.000 (2)
N20.015 (3)0.024 (3)0.021 (3)0.002 (2)0.001 (2)−0.006 (2)
C10.020 (3)0.018 (3)0.022 (3)−0.009 (2)−0.003 (3)0.004 (3)
C20.030 (4)0.015 (3)0.017 (3)−0.016 (3)−0.002 (3)0.006 (3)
C30.030 (4)0.011 (3)0.017 (3)0.002 (3)0.002 (3)0.006 (2)
C40.028 (4)0.017 (3)0.014 (3)0.001 (3)−0.003 (3)0.011 (2)
C50.029 (4)0.013 (3)0.016 (3)−0.003 (2)0.004 (3)0.003 (2)
C60.016 (3)0.016 (3)0.016 (3)−0.004 (2)−0.006 (2)0.006 (2)
C70.023 (4)0.010 (3)0.016 (3)0.006 (2)−0.001 (3)0.002 (2)
C80.023 (3)0.010 (3)0.019 (3)−0.001 (2)−0.009 (3)0.006 (2)
C90.017 (3)0.017 (3)0.017 (3)−0.003 (2)0.001 (2)0.005 (3)
C100.024 (3)0.008 (3)0.019 (3)0.002 (2)−0.004 (3)0.001 (2)
C110.021 (4)0.046 (4)0.036 (4)−0.005 (3)−0.004 (3)0.014 (3)
C120.048 (5)0.035 (4)0.026 (4)−0.026 (3)−0.007 (3)0.007 (3)
C130.058 (5)0.023 (4)0.030 (4)0.008 (3)0.008 (3)0.009 (3)
C140.026 (4)0.033 (4)0.031 (4)0.003 (3)−0.003 (3)0.017 (3)
C150.027 (4)0.027 (4)0.028 (4)−0.005 (3)0.006 (3)−0.002 (3)
C160.018 (3)0.027 (4)0.034 (4)0.006 (3)0.000 (3)0.001 (3)
C170.026 (4)0.024 (3)0.026 (4)0.008 (3)−0.007 (3)−0.001 (3)
C180.041 (4)0.019 (3)0.027 (4)−0.018 (3)−0.015 (3)0.007 (3)
C190.029 (4)0.032 (4)0.025 (4)−0.001 (3)0.001 (3)0.010 (3)
C200.027 (4)0.024 (3)0.021 (3)0.002 (3)−0.009 (3)−0.001 (3)
C210.020 (3)0.016 (3)0.018 (3)−0.001 (3)0.002 (3)0.001 (3)
C220.026 (4)0.020 (3)0.020 (3)−0.008 (3)−0.003 (3)−0.003 (3)
C230.032 (4)0.023 (3)0.019 (3)0.001 (3)0.004 (3)−0.011 (3)
C240.017 (3)0.025 (3)0.022 (3)0.004 (3)0.001 (3)−0.004 (3)
C250.018 (3)0.015 (3)0.016 (3)0.003 (2)0.001 (2)0.002 (2)
C260.017 (3)0.016 (3)0.012 (3)0.000 (2)0.000 (2)0.001 (2)
C270.025 (4)0.030 (3)0.014 (3)0.004 (3)0.003 (3)0.001 (3)
C280.016 (3)0.030 (4)0.025 (4)−0.003 (2)0.001 (3)0.001 (3)
C290.020 (3)0.039 (4)0.031 (4)−0.002 (3)−0.006 (3)−0.007 (3)
C300.019 (3)0.040 (4)0.027 (4)0.000 (3)0.001 (3)−0.014 (3)
C310.028 (4)0.023 (3)0.014 (3)0.000 (3)−0.003 (3)0.000 (3)
Geometric parameters (Å, °) top
Ce1—O12.649 (3)C9—C191.485 (8)
Ce1—N12.603 (4)C9—Cg21.212 (6)
Ce1—N22.677 (4)C10—C201.511 (7)
Ce1—C12.823 (5)C10—Cg21.197 (5)
Ce1—C22.843 (5)C21—C221.383 (7)
Ce1—C32.818 (5)C22—C231.366 (8)
Ce1—C42.771 (5)C23—C241.396 (7)
Ce1—C52.787 (5)C24—C251.398 (7)
Ce1—C62.829 (5)C25—C261.485 (7)
Ce1—C72.722 (5)C26—C271.392 (8)
Ce1—C82.742 (5)C27—C281.381 (8)
Ce1—C92.857 (5)C28—C291.373 (9)
Ce1—Cg12.5382 (3)C29—C301.379 (8)
Ce1—Cg22.5439 (3)C11—H11A0.946
S1—O11.468 (4)C11—H11B0.950
S1—O21.440 (4)C11—H11C0.955
S1—O31.435 (4)C12—H12A0.951
S1—C311.833 (6)C12—H12B0.951
F1—C311.326 (6)C12—H12C0.948
F2—C311.337 (6)C13—H13A0.951
F3—C311.329 (7)C13—H13B0.951
N1—C211.348 (6)C13—H13C0.948
N1—C251.352 (7)C14—H14A0.950
N2—C261.355 (7)C14—H14B0.946
N2—C301.342 (7)C14—H14C0.951
C1—C21.406 (8)C15—H15A0.949
C1—C51.414 (7)C15—H15B0.954
C1—C111.509 (8)C15—H15C0.945
C1—Cg11.204 (6)C16—H16A0.947
C2—C31.417 (8)C16—H16B0.952
C2—C121.514 (8)C16—H16C0.949
C2—Cg11.197 (5)C17—H17A0.950
C3—C41.414 (8)C17—H17B0.951
C3—C131.497 (8)C17—H17C0.946
C3—Cg11.208 (6)C18—H18A0.948
C4—C51.420 (8)C18—H18B0.950
C4—C141.519 (8)C18—H18C0.948
C4—Cg11.203 (5)C19—H19A0.957
C5—C151.500 (8)C19—H19B0.960
C5—Cg11.204 (5)C19—H19C0.962
C6—C71.426 (7)C20—H20A0.950
C6—C101.406 (7)C20—H20B0.948
C6—C161.496 (7)C20—H20C0.950
C6—Cg21.210 (5)C21—H210.945
C7—C81.426 (8)C22—H220.955
C7—C171.496 (8)C23—H230.956
C7—Cg21.212 (6)C24—H240.953
C8—C91.419 (8)C27—H270.949
C8—C181.507 (7)C28—H280.947
C8—Cg21.206 (5)C29—H290.950
C9—C101.419 (7)C30—H300.948
Ce1···O12.649 (3)F2···Cg1iii3.536 (3)
Ce1···N12.603 (4)F3···C24iv3.406 (6)
Ce1···N22.677 (4)F3···C27iv3.431 (7)
Ce1···C12.823 (5)F3···C14iii3.471 (7)
Ce1···C22.843 (5)O2···C28iv3.418 (7)
Ce1···C32.818 (5)O2···C16ii3.447 (7)
Ce1···C42.771 (5)O2···C27iv3.483 (7)
Ce1···C52.787 (5)O3···C22ii3.322 (7)
Ce1···C62.829 (5)O3···C21ii3.448 (6)
Ce1···C72.722 (5)O3···C18i3.586 (7)
Ce1···C82.742 (5)C6···C23v3.568 (7)
Ce1···C92.857 (5)C8···C22v3.536 (8)
Ce1···Cg12.5382 (3)C8···C23v3.575 (8)
Ce1···Cg22.5439 (3)C9···C22v3.407 (7)
F1···C19i3.571 (7)C9···C23v3.520 (8)
F2···C12ii3.043 (7)C10···C23v3.486 (7)
F2···C5iii3.271 (6)C15···C27iv3.408 (8)
F2···C15iii3.369 (7)C18···C18i3.57 (1)
F2···C4iii3.409 (6)C23···Cg2vi3.340 (6)
O1—Ce1—N1142.7 (1)C16—C6—Cg2172.4 (5)
O1—Ce1—N281.5 (1)Ce1—C7—C679.3 (3)
O1—Ce1—C198.7 (1)Ce1—C7—C875.6 (3)
O1—Ce1—C2121.7 (1)Ce1—C7—C17109.6 (3)
O1—Ce1—C3110.0 (1)Ce1—C7—Cg268.6 (2)
O1—Ce1—C480.9 (1)C6—C7—C8107.5 (5)
O1—Ce1—C574.0 (1)C6—C7—C17126.1 (5)
O1—Ce1—C6107.8 (1)C6—C7—Cg253.9 (3)
O1—Ce1—C778.8 (1)C8—C7—C17126.3 (5)
O1—Ce1—C875.9 (1)C8—C7—Cg253.7 (3)
O1—Ce1—C9102.6 (1)C17—C7—Cg2178.2 (5)
O1—Ce1—Cg197.60 (8)Ce1—C8—C774.1 (3)
O1—Ce1—Cg298.37 (7)Ce1—C8—C979.9 (3)
N1—Ce1—N261.3 (1)Ce1—C8—C18116.5 (3)
N1—Ce1—C1108.3 (1)Ce1—C8—Cg267.8 (2)
N1—Ce1—C279.8 (2)C7—C8—C9108.3 (5)
N1—Ce1—C373.1 (2)C7—C8—C18127.4 (5)
N1—Ce1—C498.1 (1)C7—C8—Cg254.0 (3)
N1—Ce1—C5121.3 (1)C9—C8—C18124.1 (5)
N1—Ce1—C697.8 (1)C9—C8—Cg254.2 (3)
N1—Ce1—C7119.5 (1)C18—C8—Cg2175.6 (5)
N1—Ce1—C8103.5 (2)Ce1—C9—C870.9 (3)
N1—Ce1—C975.0 (1)Ce1—C9—C1078.4 (3)
N1—Ce1—Cg196.33 (9)Ce1—C9—C19120.3 (4)
N1—Ce1—Cg293.39 (9)Ce1—C9—Cg262.8 (2)
N2—Ce1—C1136.3 (1)C8—C9—C10107.3 (5)
N2—Ce1—C2117.5 (2)C8—C9—C19126.5 (5)
N2—Ce1—C390.6 (1)C8—C9—Cg253.9 (3)
N2—Ce1—C489.3 (2)C10—C9—C19126.0 (5)
N2—Ce1—C5115.9 (2)C10—C9—Cg253.4 (3)
N2—Ce1—C6132.3 (1)C19—C9—Cg2176.9 (5)
N2—Ce1—C7122.2 (2)C6—C10—C9109.0 (5)
N2—Ce1—C892.2 (2)C6—C10—C20125.1 (5)
N2—Ce1—C984.7 (1)C6—C10—Cg254.7 (3)
N2—Ce1—Cg1111.10 (10)C9—C10—C20124.2 (5)
N2—Ce1—Cg2108.57 (10)C9—C10—Cg254.4 (3)
C1—Ce1—C228.7 (2)C20—C10—Cg2167.6 (5)
C1—Ce1—C348.0 (2)N1—C21—C22123.6 (5)
C1—Ce1—C448.3 (2)C21—C22—C23119.2 (5)
C1—Ce1—C529.2 (1)C22—C23—C24118.7 (5)
C1—Ce1—C689.6 (2)C23—C24—C25119.2 (5)
C1—Ce1—C7100.3 (2)N1—C25—C24122.0 (5)
C1—Ce1—C8130.5 (2)N1—C25—C26115.9 (5)
C1—Ce1—C9136.3 (2)C24—C25—C26122.1 (5)
C1—Ce1—Cg125.2 (1)N2—C26—C25116.7 (5)
C1—Ce1—Cg2114.5 (1)N2—C26—C27121.3 (5)
C2—Ce1—C329.0 (2)C25—C26—C27121.9 (5)
C2—Ce1—C448.0 (2)C26—C27—C28119.8 (5)
C2—Ce1—C547.8 (2)C27—C28—C29118.9 (6)
C2—Ce1—C697.5 (2)C28—C29—C30118.5 (5)
C2—Ce1—C7119.2 (2)N2—C30—C29123.9 (5)
C2—Ce1—C8146.2 (2)S1—C31—F1113.2 (4)
C2—Ce1—C9131.9 (2)S1—C31—F2109.5 (4)
C2—Ce1—Cg124.9 (1)S1—C31—F3111.9 (4)
C2—Ce1—Cg2121.4 (1)F1—C31—F2107.0 (5)
C3—Ce1—C429.3 (2)F1—C31—F3107.6 (5)
C3—Ce1—C548.3 (2)F2—C31—F3107.4 (5)
C3—Ce1—C6126.0 (2)Ce1—Cg1—C190.7 (3)
C3—Ce1—C7147.2 (2)Ce1—Cg1—C292.0 (2)
C3—Ce1—C8173.8 (2)Ce1—Cg1—C390.4 (3)
C3—Ce1—C9145.9 (2)Ce1—Cg1—C488.0 (3)
C3—Ce1—Cg125.4 (1)Ce1—Cg1—C588.8 (2)
C3—Ce1—Cg2147.9 (1)C1—Cg1—C271.7 (4)
C4—Ce1—C529.6 (2)C1—Cg1—C3143.9 (4)
C4—Ce1—C6137.8 (2)C1—Cg1—C4144.3 (4)
C4—Ce1—C7138.8 (2)C1—Cg1—C571.9 (4)
C4—Ce1—C8156.2 (2)C2—Cg1—C372.2 (4)
C4—Ce1—C9172.4 (2)C2—Cg1—C4144.0 (4)
C4—Ce1—Cg125.7 (1)C2—Cg1—C5143.7 (4)
C4—Ce1—Cg2161.9 (1)C3—Cg1—C471.8 (4)
C5—Ce1—C6111.5 (2)C3—Cg1—C5144.1 (4)
C5—Ce1—C7109.7 (2)C4—Cg1—C572.3 (4)
C5—Ce1—C8134.3 (2)Ce1—Cg2—C690.6 (2)
C5—Ce1—C9157.7 (2)Ce1—Cg2—C785.1 (2)
C5—Ce1—Cg125.6 (1)Ce1—Cg2—C886.2 (2)
C5—Ce1—Cg2132.7 (1)Ce1—Cg2—C992.1 (2)
C6—Ce1—C729.7 (1)Ce1—Cg2—C1096.0 (2)
C6—Ce1—C848.8 (2)C6—Cg2—C772.2 (4)
C6—Ce1—C947.7 (2)C6—Cg2—C8144.4 (4)
C6—Ce1—Cg1113.6 (1)C6—Cg2—C9143.7 (4)
C6—Ce1—Cg225.3 (1)C6—Cg2—C1071.5 (4)
C7—Ce1—C830.3 (2)C7—Cg2—C872.3 (4)
C7—Ce1—C948.7 (2)C7—Cg2—C9144.2 (4)
C7—Ce1—Cg1125.0 (1)C7—Cg2—C10143.7 (4)
C7—Ce1—Cg226.3 (1)C8—Cg2—C971.9 (4)
C8—Ce1—C929.3 (2)C8—Cg2—C10144.0 (4)
C8—Ce1—Cg1154.8 (1)C9—Cg2—C1072.2 (4)
C8—Ce1—Cg226.0 (1)C1—C11—H11A109.872
C9—Ce1—Cg1156.1 (1)C1—C11—H11B109.542
C9—Ce1—Cg225.1 (1)C1—C11—H11C109.207
Cg1—Ce1—Cg2138.91 (1)H11A—C11—H11B109.795
O1—S1—O2114.4 (2)H11A—C11—H11C109.368
O1—S1—O3113.9 (2)H11B—C11—H11C109.039
O1—S1—C31104.5 (2)C2—C12—H12A109.352
O2—S1—O3116.5 (2)C2—C12—H12B109.437
O2—S1—C31101.9 (2)C2—C12—H12C109.500
O3—S1—C31103.2 (3)H12A—C12—H12B109.346
Ce1—O1—S1165.6 (2)H12A—C12—H12C109.595
Ce1—N1—C21118.1 (3)H12B—C12—H12C109.598
Ce1—N1—C25124.3 (3)C3—C13—H13A109.386
C21—N1—C25117.3 (5)C3—C13—H13B109.372
Ce1—N2—C26121.2 (3)C3—C13—H13C109.645
Ce1—N2—C30121.1 (4)H13A—C13—H13B109.319
C26—N2—C30117.5 (5)H13A—C13—H13C109.531
Ce1—C1—C276.4 (3)H13B—C13—H13C109.574
Ce1—C1—C574.0 (3)C4—C14—H14A109.234
Ce1—C1—C11124.5 (4)C4—C14—H14B109.436
Ce1—C1—Cg164.0 (2)C4—C14—H14C109.214
C2—C1—C5107.9 (5)H14A—C14—H14B109.789
C2—C1—C11126.9 (5)H14A—C14—H14C109.399
C2—C1—Cg153.9 (3)H14B—C14—H14C109.753
C5—C1—C11124.2 (5)C5—C15—H15A109.323
C5—C1—Cg154.0 (3)C5—C15—H15B109.200
C11—C1—Cg1171.3 (5)C5—C15—H15C109.552
Ce1—C2—C174.8 (3)H15A—C15—H15B109.240
Ce1—C2—C374.5 (3)H15A—C15—H15C109.960
Ce1—C2—C12124.8 (4)H15B—C15—H15C109.550
Ce1—C2—Cg163.2 (2)C6—C16—H16A109.465
C1—C2—C3108.6 (5)C6—C16—H16B109.353
C1—C2—C12124.1 (5)C6—C16—H16C109.337
C1—C2—Cg154.4 (3)H16A—C16—H16B109.548
C3—C2—C12126.5 (6)H16A—C16—H16C109.760
C3—C2—Cg154.3 (3)H16B—C16—H16C109.363
C12—C2—Cg1172.0 (5)C7—C17—H17A109.281
Ce1—C3—C276.5 (3)C7—C17—H17B109.130
Ce1—C3—C473.5 (3)C7—C17—H17C109.451
Ce1—C3—C13121.1 (4)H17A—C17—H17B109.368
Ce1—C3—Cg164.2 (2)H17A—C17—H17C109.853
C2—C3—C4107.5 (5)H17B—C17—H17C109.742
C2—C3—C13128.2 (5)C8—C18—H18A109.155
C2—C3—Cg153.5 (3)C8—C18—H18B109.271
C4—C3—C13124.0 (5)C8—C18—H18C109.329
C4—C3—Cg153.9 (3)H18A—C18—H18B109.655
C13—C3—Cg1174.2 (5)H18A—C18—H18C109.809
Ce1—C4—C377.2 (3)H18B—C18—H18C109.606
Ce1—C4—C575.8 (3)C9—C19—H19A111.199
Ce1—C4—C14115.9 (4)C9—C19—H19B111.115
Ce1—C4—Cg166.3 (2)C9—C19—H19C110.863
C3—C4—C5108.1 (5)H19A—C19—H19B108.049
C3—C4—C14126.5 (5)H19A—C19—H19C107.839
C3—C4—Cg154.3 (3)H19B—C19—H19C107.624
C5—C4—C14125.3 (5)C10—C20—H20A109.283
C5—C4—Cg153.9 (3)C10—C20—H20B109.410
C14—C4—Cg1177.6 (5)C10—C20—H20C109.368
Ce1—C5—C176.8 (3)H20A—C20—H20B109.620
Ce1—C5—C474.6 (3)H20A—C20—H20C109.491
Ce1—C5—C15121.7 (4)H20B—C20—H20C109.654
Ce1—C5—Cg165.6 (2)N1—C21—H21118.305
C1—C5—C4107.8 (5)C22—C21—H21118.050
C1—C5—C15123.5 (5)C21—C22—H22120.035
C1—C5—Cg154.0 (3)C23—C22—H22120.806
C4—C5—C15128.0 (5)C22—C23—H23120.432
C4—C5—Cg153.8 (3)C24—C23—H23120.873
C15—C5—Cg1172.4 (5)C23—C24—H24120.197
Ce1—C6—C771.0 (3)C25—C24—H24120.591
Ce1—C6—C1079.6 (3)C26—C27—H27119.979
Ce1—C6—C16123.5 (3)C28—C27—H27120.231
Ce1—C6—Cg264.1 (2)C27—C28—H28120.632
C7—C6—C10107.8 (5)C29—C28—H28120.450
C7—C6—C16126.5 (5)C28—C29—H29121.253
C7—C6—Cg254.0 (3)C30—C29—H29120.212
C10—C6—C16124.9 (5)N2—C30—H30117.967
C10—C6—Cg253.8 (3)C29—C30—H30118.178
Ce1—O1—S1—O274.3 (9)C2i—Cg1i—C4i—C14i110 (13)
Ce1—O1—S1—O3−63.2 (9)C2i—Cg1i—C5i—C4i180.0 (5)
Ce1—O1—S1—C31−175.1 (8)C2i—Cg1i—C5i—C15i−73 (4)
Ce1—N1—C21—C22172.6 (4)C3i—Ce1i—N1i—C21i−78.8 (4)
Ce1—N1—C25—C24−172.0 (4)C3i—Ce1i—N1i—C25i94.6 (4)
Ce1—N1—C25—C269.6 (6)C3i—Ce1i—N2i—C26i−69.6 (4)
Ce1—N2—C26—C253.4 (6)C3i—Ce1i—N2i—C30i115.4 (4)
Ce1—N2—C26—C27−176.4 (4)C3i—Ce1i—C1i—C5i−77.2 (3)
Ce1—N2—C30—C29175.6 (5)C3i—Ce1i—C1i—C11i162.0 (5)
Ce1—C1—C2—C3−67.5 (4)C3i—Ce1i—C1i—Cg1i−19.9 (2)
Ce1—C1—C2—C12122.0 (5)C3i—Ce1i—C2i—C12i124.0 (7)
Ce1—C1—C2—Cg1−67.6 (2)C3i—Ce1i—C2i—Cg1i−57.4 (3)
Ce1—C1—C5—C468.8 (4)C3i—Ce1i—C4i—C5i112.7 (5)
Ce1—C1—C5—C15−119.5 (5)C3i—Ce1i—C4i—C14i−124.6 (6)
Ce1—C1—C5—Cg169.2 (2)C3i—Ce1i—C4i—Cg1i56.3 (3)
Ce1—C1—Cg1—C291.8 (3)C3i—Ce1i—C5i—C4i−37.2 (3)
Ce1—C1—Cg1—C391.7 (6)C3i—Ce1i—C5i—C15i−162.7 (5)
Ce1—C1—Cg1—C4−87.6 (6)C3i—Ce1i—C5i—Cg1i19.6 (2)
Ce1—C1—Cg1—C5−88.5 (3)C3i—Ce1i—C6i—C7i−145.6 (3)
Ce1—C2—C1—C567.9 (4)C3i—Ce1i—C6i—C10i101.4 (3)
Ce1—C2—C1—C11−123.1 (6)C3i—Ce1i—C6i—C16i−23.8 (5)
Ce1—C2—C1—Cg167.6 (2)C3i—Ce1i—C6i—Cg2i156.1 (2)
Ce1—C2—C3—C4−67.5 (4)C3i—Ce1i—C7i—C6i57.8 (5)
Ce1—C2—C3—C13119.1 (6)C3i—Ce1i—C7i—C8i169.2 (3)
Ce1—C2—C3—Cg1−67.8 (2)C3i—Ce1i—C7i—C17i−67.0 (5)
Ce1—C2—Cg1—C1−90.1 (3)C3i—Ce1i—C7i—Cg2i113.0 (3)
Ce1—C2—Cg1—C389.8 (3)C3i—Ce1i—C8i—Cg2i−13 (1)
Ce1—C2—Cg1—C489.3 (5)C3i—Ce1i—C9i—C8i−172.7 (3)
Ce1—C2—Cg1—C5−90.7 (5)C3i—Ce1i—C9i—C10i−59.5 (4)
Ce1—C3—C2—C167.7 (4)C3i—Ce1i—C9i—C19i65.6 (5)
Ce1—C3—C2—C12−122.1 (5)C3i—Ce1i—C9i—Cg2i−114.2 (3)
Ce1—C3—C2—Cg167.8 (2)C3i—Ce1i—Cg1i—C4i−71.8 (4)
Ce1—C3—C4—C5−70.2 (4)C3i—Ce1i—Cg1i—C5i−144.1 (4)
Ce1—C3—C4—C14113.0 (6)C3i—Ce1i—Cg2i—C6i−38.2 (3)
Ce1—C3—C4—Cg1−69.8 (2)C3i—Ce1i—Cg2i—C7i−110.2 (3)
Ce1—C3—Cg1—C1−91.8 (6)C3i—Ce1i—Cg2i—C8i177.2 (3)
Ce1—C3—Cg1—C2−91.9 (3)C3i—Ce1i—Cg2i—C9i105.6 (3)
Ce1—C3—Cg1—C487.8 (3)C3i—Ce1i—Cg2i—C10i33.3 (3)
Ce1—C3—Cg1—C588.5 (6)C3i—C2i—Ce1i—C4i37.3 (3)
Ce1—C4—C3—C269.6 (4)C3i—C2i—Ce1i—C5i77.6 (3)
Ce1—C4—C3—C13−116.7 (6)C3i—C2i—Ce1i—C6i−170.1 (3)
Ce1—C4—C3—Cg169.8 (2)C3i—C2i—Ce1i—C7i168.3 (3)
Ce1—C4—C5—C1−70.3 (4)C3i—C2i—Ce1i—C8i−172.5 (3)
Ce1—C4—C5—C15118.5 (6)C3i—C2i—Ce1i—C9i−132.6 (3)
Ce1—C4—C5—Cg1−70.8 (2)C3i—C2i—Ce1i—Cg1i57.4 (3)
Ce1—C4—Cg1—C188.5 (6)C3i—C2i—Ce1i—Cg2i−161.2 (3)
Ce1—C4—Cg1—C2−90.6 (5)C3i—C2i—C1i—C5i0.4 (6)
Ce1—C4—Cg1—C3−91.1 (3)C3i—C2i—C1i—C11i169.4 (5)
Ce1—C4—Cg1—C589.4 (3)C3i—C2i—C1i—Cg1i0.1 (4)
Ce1—C5—C1—C2−69.5 (4)C3i—C2i—Cg1i—C4i−0.5 (7)
Ce1—C5—C1—C11121.1 (5)C3i—C2i—Cg1i—C5i179.6 (6)
Ce1—C5—C1—Cg1−69.2 (2)C3i—C4i—Ce1i—C5i−112.7 (5)
Ce1—C5—C4—C371.2 (4)C3i—C4i—Ce1i—C6i−79.7 (4)
Ce1—C5—C4—C14−112.0 (5)C3i—C4i—Ce1i—C7i−125.0 (3)
Ce1—C5—C4—Cg170.8 (2)C3i—C4i—Ce1i—C8i−173.7 (4)
Ce1—C5—Cg1—C191.2 (3)C3i—C4i—Ce1i—Cg1i−56.3 (3)
Ce1—C5—Cg1—C291.7 (5)C3i—C4i—Ce1i—Cg2i−97.0 (5)
Ce1—C5—Cg1—C3−89.0 (6)C3i—C4i—C5i—C15i−170.4 (5)
Ce1—C5—Cg1—C4−88.3 (3)C3i—C4i—C5i—Cg1i0.4 (4)
Ce1—C6—C7—C8−71.1 (3)C3i—C4i—Cg1i—C5i−179.5 (4)
Ce1—C6—C7—C17106.5 (5)C3i—Cg1i—Ce1i—C4i71.8 (4)
Ce1—C6—C7—Cg2−71.2 (2)C3i—Cg1i—Ce1i—C5i144.1 (4)
Ce1—C6—C10—C964.4 (4)C3i—Cg1i—Ce1i—C6i−125.1 (3)
Ce1—C6—C10—C20−129.8 (5)C3i—Cg1i—Ce1i—C7i−156.7 (3)
Ce1—C6—C10—Cg265.4 (2)C3i—Cg1i—Ce1i—C8i−165.5 (4)
Ce1—C6—Cg2—C784.6 (3)C3i—Cg1i—Ce1i—C9i−90.6 (4)
Ce1—C6—Cg2—C884.3 (5)C3i—Cg1i—Ce1i—Cg2i−126.2 (3)
Ce1—C6—Cg2—C9−94.4 (5)C3i—Cg1i—C1i—C5i−179.8 (6)
Ce1—C6—Cg2—C10−96.2 (3)C3i—Cg1i—C1i—C11i−98 (3)
Ce1—C7—C6—C1071.9 (4)C3i—Cg1i—C2i—C12i−98 (4)
Ce1—C7—C6—C16−118.2 (5)C3i—Cg1i—C4i—C5i179.5 (4)
Ce1—C7—C6—Cg271.2 (2)C3i—Cg1i—C4i—C14i109 (13)
Ce1—C7—C8—C9−73.3 (4)C3i—Cg1i—C5i—C4i−0.7 (7)
Ce1—C7—C8—C18111.4 (5)C3i—Cg1i—C5i—C15i105 (3)
Ce1—C7—C8—Cg2−73.8 (2)C4i—Ce1i—N1i—C21i−94.4 (4)
Ce1—C7—Cg2—C6−92.2 (3)C4i—Ce1i—N1i—C25i79.1 (4)
Ce1—C7—Cg2—C887.6 (3)C4i—Ce1i—N2i—C26i−98.8 (4)
Ce1—C7—Cg2—C986.7 (5)C4i—Ce1i—N2i—C30i86.1 (5)
Ce1—C7—Cg2—C10−93.5 (5)C4i—Ce1i—C1i—C5i−37.5 (3)
Ce1—C8—C7—C673.6 (4)C4i—Ce1i—C1i—C11i−158.3 (5)
Ce1—C8—C7—C17−104.0 (5)C4i—Ce1i—C1i—Cg1i19.8 (2)
Ce1—C8—C7—Cg273.8 (2)C4i—Ce1i—C2i—C12i161.2 (6)
Ce1—C8—C9—C10−70.7 (4)C4i—Ce1i—C2i—Cg1i−20.1 (2)
Ce1—C8—C9—C19114.0 (5)C4i—Ce1i—C3i—C13i120.2 (6)
Ce1—C8—C9—Cg2−69.8 (2)C4i—Ce1i—C3i—Cg1i−57.4 (3)
Ce1—C8—Cg2—C6−85.7 (5)C4i—Ce1i—C5i—C15i−125.5 (6)
Ce1—C8—Cg2—C7−86.0 (3)C4i—Ce1i—C5i—Cg1i56.8 (3)
Ce1—C8—Cg2—C993.4 (3)C4i—Ce1i—C6i—C7i−109.1 (4)
Ce1—C8—Cg2—C1095.1 (5)C4i—Ce1i—C6i—C10i137.9 (3)
Ce1—C9—C8—C769.4 (3)C4i—Ce1i—C6i—C16i12.7 (6)
Ce1—C9—C8—C18−115.2 (5)C4i—Ce1i—C6i—Cg2i−167.5 (2)
Ce1—C9—C8—Cg269.8 (2)C4i—Ce1i—C7i—C6i105.6 (4)
Ce1—C9—C10—C6−63.7 (4)C4i—Ce1i—C7i—C8i−143.0 (3)
Ce1—C9—C10—C20130.4 (5)C4i—Ce1i—C7i—C17i−19.2 (5)
Ce1—C9—C10—Cg2−64.7 (2)C4i—Ce1i—C7i—Cg2i160.8 (2)
Ce1—C9—Cg2—C693.9 (5)C4i—Ce1i—C8i—C7i79.2 (5)
Ce1—C9—Cg2—C7−84.5 (5)C4i—Ce1i—C8i—C9i−168.3 (4)
Ce1—C9—Cg2—C8−85.3 (3)C4i—Ce1i—C8i—C18i−45.1 (7)
Ce1—C9—Cg2—C1095.7 (3)C4i—Ce1i—C8i—Cg2i136.3 (3)
Ce1—Cg1—C1—C2−91.8 (3)C4i—Ce1i—C9i—Cg2i−159 (1)
Ce1—Cg1—C1—C588.5 (3)C4i—Ce1i—Cg1i—C5i−72.3 (4)
Ce1—Cg1—C1—C11169 (3)C4i—Ce1i—Cg2i—C6i27.9 (5)
Ce1—Cg1—C2—C190.1 (3)C4i—Ce1i—Cg2i—C7i−44.1 (5)
Ce1—Cg1—C2—C3−89.8 (3)C4i—Ce1i—Cg2i—C8i−116.6 (5)
Ce1—Cg1—C2—C12172 (4)C4i—Ce1i—Cg2i—C9i171.7 (4)
Ce1—Cg1—C3—C291.9 (3)C4i—Ce1i—Cg2i—C10i99.4 (5)
Ce1—Cg1—C3—C4−87.8 (3)C4i—C3i—Ce1i—C5i37.6 (3)
Ce1—Cg1—C3—C13−158 (5)C4i—C3i—Ce1i—C6i125.3 (3)
Ce1—Cg1—C4—C391.1 (3)C4i—C3i—Ce1i—C7i94.1 (4)
Ce1—Cg1—C4—C5−89.4 (3)C4i—C3i—Ce1i—C9i−168.9 (3)
Ce1—Cg1—C4—C14−159 (13)C4i—C3i—Ce1i—Cg1i57.4 (3)
Ce1—Cg1—C5—C1−91.2 (3)C4i—C3i—Ce1i—Cg2i144.4 (3)
Ce1—Cg1—C5—C488.3 (3)C4i—C3i—C2i—C12i170.4 (5)
Ce1—Cg1—C5—C15−165 (3)C4i—C3i—C2i—Cg1i0.3 (3)
Ce1—Cg2—C6—C7−84.6 (3)C4i—C3i—Cg1i—C5i0.7 (7)
Ce1—Cg2—C6—C1096.2 (3)C4i—C5i—Ce1i—C6i−156.8 (3)
Ce1—Cg2—C6—C16178 (3)C4i—C5i—Ce1i—C7i171.5 (3)
Ce1—Cg2—C7—C692.2 (3)C4i—C5i—Ce1i—C8i150.5 (3)
Ce1—Cg2—C7—C8−87.6 (3)C4i—C5i—Ce1i—C9i−175.8 (4)
Ce1—Cg2—C7—C172(16)C4i—C5i—Ce1i—Cg1i−56.8 (3)
Ce1—Cg2—C8—C786.0 (3)C4i—C5i—Ce1i—Cg2i−173.4 (3)
Ce1—Cg2—C8—C9−93.4 (3)C4i—C5i—C1i—C11i−170.1 (5)
Ce1—Cg2—C8—C18−163 (7)C4i—C5i—C1i—Cg1i−0.5 (4)
Ce1—Cg2—C9—C885.3 (3)C4i—Cg1i—Ce1i—C5i72.3 (4)
Ce1—Cg2—C9—C10−95.7 (3)C4i—Cg1i—Ce1i—C6i163.1 (3)
Ce1—Cg2—C9—C19−176 (9)C4i—Cg1i—Ce1i—C7i131.5 (3)
Ce1—Cg2—C10—C6−88.6 (3)C4i—Cg1i—Ce1i—C8i122.7 (4)
Ce1—Cg2—C10—C990.3 (3)C4i—Cg1i—Ce1i—C9i−162.4 (4)
Ce1—Cg2—C10—C20178 (2)C4i—Cg1i—Ce1i—Cg2i162.0 (3)
S1—O1—Ce1—N141.3 (10)C4i—Cg1i—C1i—C5i0.9 (7)
S1—O1—Ce1—N240.6 (9)C4i—Cg1i—C1i—C11i81 (3)
S1—O1—Ce1—C1−95.2 (9)C4i—Cg1i—C2i—C12i−98 (4)
S1—O1—Ce1—C2−76.5 (9)C4i—Cg1i—C3i—C13i−70 (5)
S1—O1—Ce1—C3−46.8 (9)C4i—Cg1i—C5i—C15i106 (4)
S1—O1—Ce1—C4−50.1 (9)C5i—Ce1i—N1i—C21i−74.6 (4)
S1—O1—Ce1—C5−79.6 (9)C5i—Ce1i—N1i—C25i98.8 (4)
S1—O1—Ce1—C6172.5 (9)C5i—Ce1i—N2i—C26i−112.3 (4)
S1—O1—Ce1—C7166.0 (9)C5i—Ce1i—N2i—C30i72.7 (5)
S1—O1—Ce1—C8135.1 (9)C5i—Ce1i—C1i—C11i−120.8 (6)
S1—O1—Ce1—C9123.2 (9)C5i—Ce1i—C1i—Cg1i57.3 (3)
S1—O1—Ce1—Cg1−69.7 (9)C5i—Ce1i—C2i—C12i−158.5 (6)
S1—O1—Ce1—Cg2148.3 (9)C5i—Ce1i—C2i—Cg1i20.2 (2)
F1—C31—S1—O165.7 (4)C5i—Ce1i—C3i—C13i157.8 (5)
F1—C31—S1—O2−174.9 (4)C5i—Ce1i—C3i—Cg1i−19.8 (2)
F1—C31—S1—O3−53.7 (4)C5i—Ce1i—C4i—C14i122.6 (6)
F2—C31—S1—O1−175.0 (4)C5i—Ce1i—C4i—Cg1i−56.4 (3)
F2—C31—S1—O2−55.6 (4)C5i—Ce1i—C6i—C7i−92.2 (3)
F2—C31—S1—O365.6 (4)C5i—Ce1i—C6i—C10i154.7 (3)
F3—C31—S1—O1−56.1 (4)C5i—Ce1i—C6i—C16i29.6 (5)
F3—C31—S1—O263.3 (4)C5i—Ce1i—C6i—Cg2i−150.6 (2)
F3—C31—S1—O3−175.5 (4)C5i—Ce1i—C7i—C6i99.2 (3)
O1—Ce1—N1—C21−179.9 (3)C5i—Ce1i—C7i—C8i−149.4 (3)
O1—Ce1—N1—C25−6.4 (5)C5i—Ce1i—C7i—C17i−25.5 (4)
O1—Ce1—N2—C26−179.8 (4)C5i—Ce1i—C7i—Cg2i154.4 (2)
O1—Ce1—N2—C305.2 (4)C5i—Ce1i—C8i—C7i42.1 (4)
O1—Ce1—C1—C2145.5 (3)C5i—Ce1i—C8i—C9i154.5 (3)
O1—Ce1—C1—C532.0 (3)C5i—Ce1i—C8i—C18i−82.2 (5)
O1—Ce1—C1—C11−88.8 (5)C5i—Ce1i—C8i—Cg2i99.2 (3)
O1—Ce1—C1—Cg189.3 (2)C5i—Ce1i—C9i—C8i−54.2 (5)
O1—Ce1—C2—C1−41.1 (4)C5i—Ce1i—C9i—C10i58.9 (6)
O1—Ce1—C2—C373.6 (4)C5i—Ce1i—C9i—C19i−176.0 (4)
O1—Ce1—C2—C12−162.5 (5)C5i—Ce1i—C9i—Cg2i4.2 (6)
O1—Ce1—C2—Cg116.2 (4)C5i—Ce1i—Cg2i—C6i38.4 (3)
O1—Ce1—C3—C2−119.6 (3)C5i—Ce1i—Cg2i—C7i−33.6 (3)
O1—Ce1—C3—C4−6.5 (4)C5i—Ce1i—Cg2i—C8i−106.1 (3)
O1—Ce1—C3—C13113.7 (4)C5i—Ce1i—Cg2i—C9i−177.8 (3)
O1—Ce1—C3—Cg1−63.9 (3)C5i—Ce1i—Cg2i—C10i109.9 (3)
O1—Ce1—C4—C3173.8 (4)C5i—C1i—Ce1i—C6i139.9 (3)
O1—Ce1—C4—C5−73.4 (3)C5i—C1i—Ce1i—C7i112.1 (3)
O1—Ce1—C4—C1449.2 (4)C5i—C1i—Ce1i—C8i110.8 (3)
O1—Ce1—C4—Cg1−129.8 (3)C5i—C1i—Ce1i—C9i150.8 (3)
O1—Ce1—C5—C1−147.0 (3)C5i—C1i—Ce1i—Cg1i−57.3 (3)
O1—Ce1—C5—C4100.0 (3)C5i—C1i—Ce1i—Cg2i135.4 (3)
O1—Ce1—C5—C15−25.5 (4)C5i—C1i—C2i—C12i−170.1 (5)
O1—Ce1—C5—Cg1156.8 (3)C5i—C1i—C2i—Cg1i0.3 (3)
O1—Ce1—C6—C7−12.9 (3)C5i—C4i—Ce1i—C6i33.1 (4)
O1—Ce1—C6—C10−126.0 (3)C5i—C4i—Ce1i—C7i−12.2 (4)
O1—Ce1—C6—C16108.9 (4)C5i—C4i—Ce1i—C8i−61.0 (6)
O1—Ce1—C6—Cg2−71.3 (3)C5i—C4i—Ce1i—Cg1i56.4 (3)
O1—Ce1—C7—C6167.5 (3)C5i—C4i—Ce1i—Cg2i15.7 (6)
O1—Ce1—C7—C8−81.1 (3)C5i—C4i—C3i—C13i173.0 (5)
O1—Ce1—C7—C1742.7 (4)C5i—C4i—C3i—Cg1i−0.4 (4)
O1—Ce1—C7—Cg2−137.3 (3)C5i—Cg1i—Ce1i—C6i90.8 (3)
O1—Ce1—C8—C791.9 (3)C5i—Cg1i—Ce1i—C7i59.1 (3)
O1—Ce1—C8—C9−155.6 (3)C5i—Cg1i—Ce1i—C8i50.4 (4)
O1—Ce1—C8—C18−32.4 (4)C5i—Cg1i—Ce1i—C9i125.2 (4)
O1—Ce1—C8—Cg2149.0 (3)C5i—Cg1i—Ce1i—Cg2i89.7 (3)
O1—Ce1—C9—C824.2 (3)C5i—Cg1i—C1i—C11i81 (3)
O1—Ce1—C9—C10137.4 (3)C5i—Cg1i—C2i—C12i81 (4)
O1—Ce1—C9—C19−97.5 (4)C5i—Cg1i—C3i—C13i−70 (5)
O1—Ce1—C9—Cg282.7 (2)C5i—Cg1i—C4i—C14i−69 (13)
O1—Ce1—Cg1—C1−94.4 (3)C6i—Ce1i—N1i—C21i46.5 (4)
O1—Ce1—Cg1—C2−166.1 (3)C6i—Ce1i—N1i—C25i−140.1 (4)
O1—Ce1—Cg1—C3121.7 (3)C6i—Ce1i—N2i—C26i73.9 (4)
O1—Ce1—Cg1—C449.9 (3)C6i—Ce1i—N2i—C30i−101.1 (5)
O1—Ce1—Cg1—C5−22.5 (3)C6i—Ce1i—C1i—C11i19.1 (5)
O1—Ce1—Cg2—C6114.3 (3)C6i—Ce1i—C1i—Cg1i−162.8 (3)
O1—Ce1—Cg2—C742.2 (3)C6i—Ce1i—C2i—C12i−46.1 (5)
O1—Ce1—Cg2—C8−30.3 (3)C6i—Ce1i—C2i—Cg1i132.5 (3)
O1—Ce1—Cg2—C9−102.0 (3)C6i—Ce1i—C3i—C13i−114.5 (5)
O1—Ce1—Cg2—C10−174.3 (3)C6i—Ce1i—C3i—Cg1i67.9 (3)
N1—Ce1—N2—C260.7 (4)C6i—Ce1i—C4i—C14i155.7 (4)
N1—Ce1—N2—C30−174.3 (5)C6i—Ce1i—C4i—Cg1i−23.3 (4)
N1—Ce1—C1—C2−8.5 (3)C6i—Ce1i—C5i—C15i77.7 (4)
N1—Ce1—C1—C5−122.0 (3)C6i—Ce1i—C5i—Cg1i−100.0 (3)
N1—Ce1—C1—C11117.3 (5)C6i—Ce1i—C7i—C8i111.4 (5)
N1—Ce1—C1—Cg1−64.7 (3)C6i—Ce1i—C7i—C17i−124.7 (5)
N1—Ce1—C2—C1171.8 (3)C6i—Ce1i—C7i—Cg2i55.2 (3)
N1—Ce1—C2—C3−73.4 (3)C6i—Ce1i—C8i—C7i−37.8 (3)
N1—Ce1—C2—C1250.5 (5)C6i—Ce1i—C8i—C9i74.6 (3)
N1—Ce1—C2—Cg1−130.8 (3)C6i—Ce1i—C8i—C18i−162.2 (5)
N1—Ce1—C3—C299.6 (3)C6i—Ce1i—C8i—Cg2i19.3 (2)
N1—Ce1—C3—C4−147.2 (4)C6i—Ce1i—C9i—C8i−78.4 (3)
N1—Ce1—C3—C13−27.1 (4)C6i—Ce1i—C9i—C10i34.7 (3)
N1—Ce1—C3—Cg1155.4 (3)C6i—Ce1i—C9i—C19i159.8 (5)
N1—Ce1—C4—C331.5 (4)C6i—Ce1i—C9i—Cg2i−20.0 (2)
N1—Ce1—C4—C5144.3 (3)C6i—Ce1i—Cg2i—C7i−72.0 (4)
N1—Ce1—C4—C14−93.1 (4)C6i—Ce1i—Cg2i—C8i−144.5 (4)
N1—Ce1—C4—Cg187.9 (3)C6i—Ce1i—Cg2i—C9i143.8 (4)
N1—Ce1—C5—C170.4 (4)C6i—Ce1i—Cg2i—C10i71.5 (4)
N1—Ce1—C5—C4−42.6 (4)C6i—C7i—Ce1i—C8i−111.4 (5)
N1—Ce1—C5—C15−168.0 (4)C6i—C7i—Ce1i—C9i−74.5 (3)
N1—Ce1—C5—Cg114.2 (3)C6i—C7i—Ce1i—Cg1i76.0 (3)
N1—Ce1—C6—C7139.7 (3)C6i—C7i—Ce1i—Cg2i−55.2 (3)
N1—Ce1—C6—C1026.6 (3)C6i—C7i—C8i—C9i0.3 (6)
N1—Ce1—C6—C16−98.6 (4)C6i—C7i—C8i—C18i−174.9 (5)
N1—Ce1—C6—Cg281.3 (3)C6i—C7i—C8i—Cg2i−0.2 (3)
N1—Ce1—C7—C6−47.5 (4)C6i—C7i—Cg2i—C8i179.8 (4)
N1—Ce1—C7—C864.0 (3)C6i—C7i—Cg2i—C9i179.0 (5)
N1—Ce1—C7—C17−172.2 (3)C6i—C7i—Cg2i—C10i−1.3 (6)
N1—Ce1—C7—Cg27.7 (3)C6i—C10i—C9i—C8i1.8 (6)
N1—Ce1—C8—C7−126.5 (3)C6i—C10i—C9i—C19i177.2 (5)
N1—Ce1—C8—C9−14.0 (3)C6i—C10i—C9i—Cg2i1.0 (3)
N1—Ce1—C8—C18109.2 (4)C6i—C10i—Cg2i—C7i1.3 (6)
N1—Ce1—C8—Cg2−69.4 (3)C6i—C10i—Cg2i—C8i179.5 (5)
N1—Ce1—C9—C8165.9 (3)C6i—C10i—Cg2i—C9i−178.9 (4)
N1—Ce1—C9—C10−81.0 (3)C6i—Cg2i—Ce1i—C7i72.0 (4)
N1—Ce1—C9—C1944.1 (4)C6i—Cg2i—Ce1i—C8i144.5 (4)
N1—Ce1—C9—Cg2−135.7 (3)C6i—Cg2i—Ce1i—C9i−143.8 (4)
N1—Ce1—Cg1—C1120.3 (3)C6i—Cg2i—Ce1i—Cg1i2.4 (3)
N1—Ce1—Cg1—C248.6 (3)C6i—Cg2i—C7i—C8i−179.8 (4)
N1—Ce1—Cg1—C3−23.6 (3)C6i—Cg2i—C7i—C17i−90 (16)
N1—Ce1—Cg1—C4−95.4 (3)C6i—Cg2i—C8i—C7i0.3 (6)
N1—Ce1—Cg1—C5−167.8 (3)C6i—Cg2i—C8i—C9i−179.2 (5)
N1i—Ce1i—Cg2i—C6i−101.2 (3)C6i—Cg2i—C8i—C18i110 (7)
N1i—Ce1i—Cg2i—C7i−173.3 (3)C6i—Cg2i—C9i—C8i179.2 (5)
N1i—Ce1i—Cg2i—C8i114.2 (3)C6i—Cg2i—C9i—C10i−1.8 (6)
N1i—Ce1i—Cg2i—C9i42.5 (3)C6i—Cg2i—C9i—C19i−82 (9)
N1i—Ce1i—Cg2i—C10i−29.7 (3)C6i—Cg2i—C10i—C9i178.9 (4)
N1i—C21i—C22i—C23i−0.3 (9)C6i—Cg2i—C10i—C20i−93 (2)
N1i—C25i—C24i—C23i−0.2 (9)C7i—Ce1i—N1i—C21i68.1 (4)
N1i—C25i—C26i—N2i−8.2 (7)C7i—Ce1i—N1i—C25i−118.4 (4)
N1i—C25i—C26i—C27i171.7 (5)C7i—Ce1i—N2i—C26i109.3 (4)
N2i—Ce1i—N1i—C21i−179.1 (4)C7i—Ce1i—N2i—C30i−65.7 (5)
N2i—Ce1i—N1i—C25i−5.7 (4)C7i—Ce1i—C1i—C11i−8.7 (5)
N2i—Ce1i—C1i—C2i58.7 (4)C7i—Ce1i—C1i—Cg1i169.4 (2)
N2i—Ce1i—C1i—C5i−54.8 (4)C7i—Ce1i—C2i—C12i−67.7 (6)
N2i—Ce1i—C1i—C11i−175.5 (4)C7i—Ce1i—C2i—Cg1i111.0 (3)
N2i—Ce1i—C1i—Cg1i2.5 (4)C7i—Ce1i—C3i—C13i−145.7 (4)
N2i—Ce1i—C2i—C1i−138.3 (3)C7i—Ce1i—C3i—Cg1i36.7 (4)
N2i—Ce1i—C2i—C3i−23.5 (4)C7i—Ce1i—C4i—C14i110.4 (4)
N2i—Ce1i—C2i—C12i100.4 (5)C7i—Ce1i—C4i—Cg1i−68.6 (4)
N2i—Ce1i—C2i—Cg1i−80.9 (3)C7i—Ce1i—C5i—C15i46.0 (5)
N2i—Ce1i—C3i—C2i159.2 (3)C7i—Ce1i—C5i—Cg1i−131.7 (2)
N2i—Ce1i—C3i—C4i−87.6 (3)C7i—Ce1i—C6i—C10i−113.1 (5)
N2i—Ce1i—C3i—C13i32.6 (5)C7i—Ce1i—C6i—C16i121.8 (6)
N2i—Ce1i—C3i—Cg1i−145.0 (3)C7i—Ce1i—C6i—Cg2i−58.4 (3)
N2i—Ce1i—C4i—C3i92.4 (3)C7i—Ce1i—C8i—C9i112.5 (5)
N2i—Ce1i—C4i—C5i−154.9 (3)C7i—Ce1i—C8i—C18i−124.3 (6)
N2i—Ce1i—C4i—C14i−32.2 (4)C7i—Ce1i—C8i—Cg2i57.1 (3)
N2i—Ce1i—C4i—Cg1i148.7 (3)C7i—Ce1i—C9i—C8i−38.3 (3)
N2i—Ce1i—C5i—C1i141.2 (3)C7i—Ce1i—C9i—C10i74.9 (3)
N2i—Ce1i—C5i—C4i28.1 (4)C7i—Ce1i—C9i—C19i−160.0 (5)
N2i—Ce1i—C5i—C15i−97.3 (4)C7i—Ce1i—C9i—Cg2i20.2 (2)
N2i—Ce1i—C5i—Cg1i85.0 (3)C7i—Ce1i—Cg2i—C8i−72.5 (4)
N2i—Ce1i—C6i—C7i81.7 (4)C7i—Ce1i—Cg2i—C9i−144.2 (4)
N2i—Ce1i—C6i—C10i−31.3 (4)C7i—Ce1i—Cg2i—C10i143.5 (4)
N2i—Ce1i—C6i—C16i−156.5 (4)C7i—C6i—Ce1i—C8i38.6 (3)
N2i—Ce1i—C6i—Cg2i23.3 (3)C7i—C6i—Ce1i—C9i78.2 (3)
N2i—Ce1i—C7i—C6i−120.2 (3)C7i—C6i—Ce1i—Cg1i−119.9 (3)
N2i—Ce1i—C7i—C8i−8.8 (4)C7i—C6i—Ce1i—Cg2i58.4 (3)
N2i—Ce1i—C7i—C17i115.1 (4)C7i—C6i—C10i—C9i−1.6 (6)
N2i—Ce1i—C7i—Cg2i−65.0 (3)C7i—C6i—C10i—C20i164.2 (5)
N2i—Ce1i—C8i—C7i172.6 (3)C7i—C6i—C10i—Cg2i−0.7 (3)
N2i—Ce1i—C8i—C9i−75.0 (3)C7i—C6i—Cg2i—C8i−0.3 (6)
N2i—Ce1i—C8i—C18i48.2 (4)C7i—C6i—Cg2i—C9i−179.0 (5)
N2i—Ce1i—C8i—Cg2i−130.3 (3)C7i—C6i—Cg2i—C10i179.2 (4)
N2i—Ce1i—C9i—C8i104.2 (3)C7i—C8i—Ce1i—C9i−112.5 (5)
N2i—Ce1i—C9i—C10i−142.6 (3)C7i—C8i—Ce1i—Cg1i14.4 (5)
N2i—Ce1i—C9i—C19i−17.5 (4)C7i—C8i—Ce1i—Cg2i−57.1 (3)
N2i—Ce1i—C9i—Cg2i162.7 (3)C7i—C8i—C9i—C10i−1.3 (6)
N2i—Ce1i—Cg1i—C1i−178.1 (3)C7i—C8i—C9i—C19i−176.6 (5)
N2i—Ce1i—Cg1i—C2i110.1 (3)C7i—C8i—C9i—Cg2i−0.4 (3)
N2i—Ce1i—Cg1i—C3i38.0 (3)C7i—C8i—Cg2i—C9i179.5 (4)
N2i—Ce1i—Cg1i—C4i−33.8 (3)C7i—C8i—Cg2i—C10i−178.9 (5)
N2i—Ce1i—Cg1i—C5i−106.2 (3)C7i—Cg2i—Ce1i—C8i72.5 (4)
N2i—Ce1i—Cg2i—C6i−162.0 (3)C7i—Cg2i—Ce1i—C9i144.2 (4)
N2i—Ce1i—Cg2i—C7i126.0 (3)C7i—Cg2i—Ce1i—Cg1i−69.6 (3)
N2i—Ce1i—Cg2i—C8i53.5 (3)C7i—Cg2i—C6i—C10i−179.2 (4)
N2i—Ce1i—Cg2i—C9i−18.2 (3)C7i—Cg2i—C6i—C16i−96 (4)
N2i—Ce1i—Cg2i—C10i−90.5 (3)C7i—Cg2i—C8i—C9i−179.5 (4)
N2i—C26i—C25i—C24i173.4 (5)C7i—Cg2i—C8i—C18i110 (7)
N2i—C26i—C27i—C28i1.7 (9)C7i—Cg2i—C9i—C8i0.8 (6)
N2i—C30i—C29i—C28i0(1)C7i—Cg2i—C9i—C10i179.8 (5)
C1i—Ce1i—N1i—C21i−45.7 (4)C7i—Cg2i—C9i—C19i98 (9)
C1i—Ce1i—N1i—C25i127.8 (4)C7i—Cg2i—C10i—C9i−179.8 (5)
C1i—Ce1i—N2i—C26i−86.0 (4)C7i—Cg2i—C10i—C20i−91 (2)
C1i—Ce1i—N2i—C30i98.9 (5)C8i—Ce1i—N1i—C21i95.8 (4)
C1i—Ce1i—C2i—C3i114.7 (5)C8i—Ce1i—N1i—C25i−90.7 (4)
C1i—Ce1i—C2i—C12i−121.3 (7)C8i—Ce1i—N2i—C26i104.9 (4)
C1i—Ce1i—C2i—Cg1i57.4 (3)C8i—Ce1i—N2i—C30i−70.1 (5)
C1i—Ce1i—C3i—C2i−36.0 (3)C8i—Ce1i—C1i—C11i−10.0 (5)
C1i—Ce1i—C3i—C4i77.1 (4)C8i—Ce1i—C1i—Cg1i168.1 (2)
C1i—Ce1i—C3i—C13i−162.7 (5)C8i—Ce1i—C2i—C12i−48.5 (6)
C1i—Ce1i—C3i—Cg1i19.8 (2)C8i—Ce1i—C2i—Cg1i130.2 (3)
C1i—Ce1i—C4i—C3i−75.8 (4)C8i—Ce1i—C3i—Cg1i98 (1)
C1i—Ce1i—C4i—C5i36.9 (3)C8i—Ce1i—C4i—C14i61.7 (6)
C1i—Ce1i—C4i—C14i159.6 (5)C8i—Ce1i—C4i—Cg1i−117.4 (4)
C1i—Ce1i—C4i—Cg1i−19.5 (2)C8i—Ce1i—C5i—C15i25.0 (5)
C1i—Ce1i—C5i—C4i−113.0 (5)C8i—Ce1i—C5i—Cg1i−152.7 (2)
C1i—Ce1i—C5i—C15i121.5 (6)C8i—Ce1i—C6i—C10i−74.5 (3)
C1i—Ce1i—C5i—Cg1i−56.2 (3)C8i—Ce1i—C6i—C16i160.4 (5)
C1i—Ce1i—C6i—C7i−112.0 (3)C8i—Ce1i—C6i—Cg2i−19.8 (2)
C1i—Ce1i—C6i—C10i135.0 (3)C8i—Ce1i—C7i—C17i123.9 (5)
C1i—Ce1i—C6i—C16i9.8 (4)C8i—Ce1i—C7i—Cg2i−56.2 (3)
C1i—Ce1i—C6i—Cg2i−170.3 (3)C8i—Ce1i—C9i—C10i113.1 (5)
C1i—Ce1i—C7i—C6i70.5 (3)C8i—Ce1i—C9i—C19i−121.8 (6)
C1i—Ce1i—C7i—C8i−178.1 (3)C8i—Ce1i—C9i—Cg2i58.5 (3)
C1i—Ce1i—C7i—C17i−54.2 (4)C8i—Ce1i—Cg2i—C9i−71.7 (4)
C1i—Ce1i—C7i—Cg2i125.7 (2)C8i—Ce1i—Cg2i—C10i−144.0 (4)
C1i—Ce1i—C8i—C7i2.5 (4)C8i—C7i—Ce1i—C9i37.0 (3)
C1i—Ce1i—C8i—C9i114.9 (3)C8i—C7i—Ce1i—Cg1i−172.6 (3)
C1i—Ce1i—C8i—C18i−121.9 (4)C8i—C7i—Ce1i—Cg2i56.2 (3)
C1i—Ce1i—C8i—Cg2i59.6 (3)C8i—C7i—C6i—C10i0.8 (6)
C1i—Ce1i—C9i—C8i−93.2 (4)C8i—C7i—C6i—C16i170.7 (5)
C1i—Ce1i—C9i—C10i19.9 (4)C8i—C7i—C6i—Cg2i0.2 (3)
C1i—Ce1i—C9i—C19i145.1 (4)C8i—C7i—Cg2i—C9i−0.8 (6)
C1i—Ce1i—C9i—Cg2i−34.7 (4)C8i—C7i—Cg2i—C10i178.9 (5)
C1i—Ce1i—Cg1i—C2i−71.7 (4)C8i—C9i—Ce1i—Cg1i−122.9 (3)
C1i—Ce1i—Cg1i—C3i−143.9 (4)C8i—C9i—Ce1i—Cg2i−58.5 (3)
C1i—Ce1i—Cg1i—C4i144.3 (4)C8i—C9i—C10i—C20i−164.1 (5)
C1i—Ce1i—Cg1i—C5i71.9 (4)C8i—C9i—C10i—Cg2i0.8 (3)
C1i—Ce1i—Cg2i—C6i10.6 (3)C8i—C9i—Cg2i—C10i−179.0 (4)
C1i—Ce1i—Cg2i—C7i−61.4 (3)C8i—Cg2i—Ce1i—C9i71.7 (4)
C1i—Ce1i—Cg2i—C8i−133.9 (3)C8i—Cg2i—Ce1i—Cg1i−142.1 (3)
C1i—Ce1i—Cg2i—C9i154.4 (3)C8i—Cg2i—C6i—C10i−179.5 (5)
C1i—Ce1i—Cg2i—C10i82.1 (3)C8i—Cg2i—C6i—C16i−96 (3)
C1i—C2i—Ce1i—C3i−114.7 (5)C8i—Cg2i—C7i—C17i89 (16)
C1i—C2i—Ce1i—C4i−77.4 (3)C8i—Cg2i—C9i—C10i179.0 (4)
C1i—C2i—Ce1i—C5i−37.1 (3)C8i—Cg2i—C9i—C19i97 (9)
C1i—C2i—Ce1i—C6i75.2 (3)C8i—Cg2i—C10i—C9i−1.6 (6)
C1i—C2i—Ce1i—C7i53.6 (4)C8i—Cg2i—C10i—C20i86 (2)
C1i—C2i—Ce1i—C8i72.8 (4)C9i—Ce1i—N1i—C21i88.8 (4)
C1i—C2i—Ce1i—C9i112.7 (3)C9i—Ce1i—N1i—C25i−97.8 (4)
C1i—C2i—Ce1i—Cg1i−57.4 (3)C9i—Ce1i—N2i—C26i76.6 (4)
C1i—C2i—Ce1i—Cg2i84.1 (3)C9i—Ce1i—N2i—C30i−98.5 (4)
C1i—C2i—C3i—C4i0.2 (6)C9i—Ce1i—C1i—C11i30.0 (6)
C1i—C2i—C3i—C13i−173.2 (6)C9i—Ce1i—C1i—Cg1i−151.9 (2)
C1i—C2i—C3i—Cg1i−0.1 (4)C9i—Ce1i—C2i—C12i−8.6 (6)
C1i—C2i—Cg1i—C3i179.9 (4)C9i—Ce1i—C2i—Cg1i170.1 (2)
C1i—C2i—Cg1i—C4i179.4 (6)C9i—Ce1i—C3i—C13i−48.7 (6)
C1i—C2i—Cg1i—C5i−0.5 (7)C9i—Ce1i—C3i—Cg1i133.7 (3)
C1i—C5i—Ce1i—C2i36.5 (3)C9i—Ce1i—C4i—Cg1i111 (1)
C1i—C5i—Ce1i—C3i75.8 (3)C9i—Ce1i—C5i—C15i58.7 (6)
C1i—C5i—Ce1i—C4i113.0 (5)C9i—Ce1i—C5i—Cg1i−119.0 (4)
C1i—C5i—Ce1i—C6i−43.8 (4)C9i—Ce1i—C6i—C10i−34.9 (3)
C1i—C5i—Ce1i—C7i−75.5 (3)C9i—Ce1i—C6i—C16i−160.0 (5)
C1i—C5i—Ce1i—C8i−96.5 (4)C9i—Ce1i—C6i—Cg2i19.8 (2)
C1i—C5i—Ce1i—C9i−62.8 (5)C9i—Ce1i—C7i—C17i160.8 (5)
C1i—C5i—Ce1i—Cg1i56.2 (3)C9i—Ce1i—C7i—Cg2i−19.3 (2)
C1i—C5i—Ce1i—Cg2i−60.4 (4)C9i—Ce1i—C8i—C18i123.2 (6)
C1i—C5i—C4i—C3i0.9 (6)C9i—Ce1i—C8i—Cg2i−55.4 (3)
C1i—C5i—C4i—C14i177.7 (5)C9i—Ce1i—Cg2i—C10i−72.3 (4)
C1i—C5i—C4i—Cg1i0.5 (4)C9i—C8i—Ce1i—Cg1i126.8 (3)
C1i—C5i—Cg1i—C2i0.5 (7)C9i—C8i—Ce1i—Cg2i55.4 (3)
C1i—C5i—Cg1i—C3i179.8 (6)C9i—C8i—C7i—C17i−177.3 (5)
C1i—C5i—Cg1i—C4i−179.4 (4)C9i—C8i—C7i—Cg2i0.4 (3)
C1i—Cg1i—Ce1i—C2i71.7 (4)C9i—C8i—Cg2i—C10i1.6 (6)
C1i—Cg1i—Ce1i—C3i143.9 (4)C9i—C10i—C6i—C16i−171.8 (5)
C1i—Cg1i—Ce1i—C4i−144.3 (4)C9i—C10i—C6i—Cg2i−1.0 (3)
C1i—Cg1i—Ce1i—C5i−71.9 (4)C9i—Cg2i—Ce1i—Cg1i146.2 (3)
C1i—Cg1i—Ce1i—C6i18.9 (3)C9i—Cg2i—C6i—C10i1.8 (6)
C1i—Cg1i—Ce1i—C7i−12.8 (3)C9i—Cg2i—C6i—C16i84 (4)
C1i—Cg1i—Ce1i—C8i−21.6 (4)C9i—Cg2i—C7i—C17i88 (16)
C1i—Cg1i—Ce1i—C9i53.3 (4)C9i—Cg2i—C8i—C18i−69 (7)
C1i—Cg1i—Ce1i—Cg2i17.7 (3)C9i—Cg2i—C10i—C20i88 (2)
C1i—Cg1i—C2i—C3i−179.9 (4)C10i—C6i—Ce1i—Cg1i127.1 (3)
C1i—Cg1i—C2i—C12i82 (4)C10i—C6i—Ce1i—Cg2i−54.7 (3)
C1i—Cg1i—C3i—C2i0.2 (7)C10i—C6i—C7i—C17i178.4 (5)
C1i—Cg1i—C3i—C4i−179.5 (6)C10i—C6i—C7i—Cg2i0.7 (3)
C1i—Cg1i—C3i—C13i109 (5)C10i—C9i—Ce1i—Cg1i−9.7 (5)
C1i—Cg1i—C4i—C3i179.5 (6)C10i—C9i—Ce1i—Cg2i54.7 (3)
C1i—Cg1i—C4i—C5i−0.9 (7)C10i—C9i—C8i—C18i174.1 (5)
C1i—Cg1i—C4i—C14i−70 (13)C10i—C9i—C8i—Cg2i−0.8 (3)
C1i—Cg1i—C5i—C4i179.4 (4)C10i—Cg2i—Ce1i—Cg1i73.9 (3)
C1i—Cg1i—C5i—C15i−73 (3)C10i—Cg2i—C6i—C16i82 (3)
C2i—Ce1i—N1i—C21i−49.8 (4)C10i—Cg2i—C7i—C17i−91 (16)
C2i—Ce1i—N1i—C25i123.7 (4)C10i—Cg2i—C8i—C18i−68 (7)
C2i—Ce1i—N2i—C26i−58.4 (4)C10i—Cg2i—C9i—C19i−81 (9)
C2i—Ce1i—N2i—C30i126.6 (4)C11i—C1i—Ce1i—Cg1i−178.1 (6)
C2i—Ce1i—C1i—C5i−113.5 (5)C11i—C1i—Ce1i—Cg2i14.6 (5)
C2i—Ce1i—C1i—C11i125.7 (6)C11i—C1i—C2i—C12i−1.1 (9)
C2i—Ce1i—C1i—Cg1i−56.2 (3)C11i—C1i—C2i—Cg1i169.3 (7)
C2i—Ce1i—C3i—C4i113.2 (5)C11i—C1i—C5i—C15i1.6 (9)
C2i—Ce1i—C3i—C13i−126.7 (6)C11i—C1i—C5i—Cg1i−169.6 (6)
C2i—Ce1i—C3i—Cg1i55.8 (3)C12i—C2i—Ce1i—Cg1i−178.7 (7)
C2i—Ce1i—C4i—C3i−36.9 (3)C12i—C2i—Ce1i—Cg2i−37.2 (5)
C2i—Ce1i—C4i—C5i75.9 (4)C12i—C2i—C1i—Cg1i−170.4 (6)
C2i—Ce1i—C4i—C14i−161.5 (5)C12i—C2i—C3i—C13i−3.0 (9)
C2i—Ce1i—C4i—Cg1i19.5 (2)C12i—C2i—C3i—Cg1i170.1 (6)
C2i—Ce1i—C5i—C4i−76.5 (3)C13i—C3i—Ce1i—Cg1i177.6 (6)
C2i—Ce1i—C5i—C15i158.0 (5)C13i—C3i—Ce1i—Cg2i−95.4 (5)
C2i—Ce1i—C5i—Cg1i−19.7 (2)C13i—C3i—C2i—Cg1i−173.1 (7)
C2i—Ce1i—C6i—C7i−139.7 (3)C13i—C3i—C4i—C14i−3.8 (9)
C2i—Ce1i—C6i—C10i107.3 (3)C13i—C3i—C4i—Cg1i173.4 (6)
C2i—Ce1i—C6i—C16i−17.9 (5)C14i—C4i—Ce1i—Cg1i179.1 (6)
C2i—Ce1i—C6i—Cg2i162.0 (3)C14i—C4i—Ce1i—Cg2i138.4 (4)
C2i—Ce1i—C7i—C6i47.3 (4)C14i—C4i—C3i—Cg1i−177.2 (6)
C2i—Ce1i—C7i—C8i158.7 (3)C14i—C4i—C5i—C15i6.5 (9)
C2i—Ce1i—C7i—C17i−77.4 (4)C14i—C4i—C5i—Cg1i177.3 (6)
C2i—Ce1i—C7i—Cg2i102.5 (3)C15i—C5i—Ce1i—Cg1i177.7 (6)
C2i—Ce1i—C8i—C7i−34.7 (5)C15i—C5i—Ce1i—Cg2i61.1 (5)
C2i—Ce1i—C8i—C9i77.7 (4)C15i—C5i—C1i—Cg1i171.2 (6)
C2i—Ce1i—C8i—C18i−159.0 (4)C15i—C5i—C4i—Cg1i−170.7 (7)
C2i—Ce1i—C8i—Cg2i22.4 (5)C16i—C6i—Ce1i—Cg1i1.9 (5)
C2i—Ce1i—C9i—C8i−133.2 (3)C16i—C6i—Ce1i—Cg2i−179.8 (6)
C2i—Ce1i—C9i—C10i−20.0 (4)C16i—C6i—C7i—C17i−11.7 (9)
C2i—Ce1i—C9i—C19i105.1 (4)C16i—C6i—C7i—Cg2i170.6 (6)
C2i—Ce1i—C9i—Cg2i−74.7 (3)C16i—C6i—C10i—C20i−6.0 (8)
C2i—Ce1i—Cg1i—C3i−72.2 (4)C16i—C6i—C10i—Cg2i−170.8 (6)
C2i—Ce1i—Cg1i—C4i−144.0 (4)C17i—C7i—Ce1i—Cg1i−48.7 (4)
C2i—Ce1i—Cg1i—C5i143.7 (4)C17i—C7i—Ce1i—Cg2i−179.9 (6)
C2i—Ce1i—Cg2i—C6i−21.1 (3)C17i—C7i—C6i—Cg2i177.7 (6)
C2i—Ce1i—Cg2i—C7i−93.1 (3)C17i—C7i—C8i—C18i7.5 (8)
C2i—Ce1i—Cg2i—C8i−165.6 (3)C17i—C7i—C8i—Cg2i−177.7 (6)
C2i—Ce1i—Cg2i—C9i122.7 (3)C18i—C8i—Ce1i—Cg1i−110.0 (4)
C2i—Ce1i—Cg2i—C10i50.4 (3)C18i—C8i—Ce1i—Cg2i178.6 (6)
C2i—C1i—Ce1i—C3i36.3 (3)C18i—C8i—C7i—Cg2i−174.8 (6)
C2i—C1i—Ce1i—C4i76.0 (4)C18i—C8i—C9i—C19i−1.2 (8)
C2i—C1i—Ce1i—C5i113.5 (5)C18i—C8i—C9i—Cg2i175.0 (6)
C2i—C1i—Ce1i—C6i−106.6 (3)C19i—C9i—Ce1i—Cg1i115.4 (4)
C2i—C1i—Ce1i—C7i−134.4 (3)C19i—C9i—Ce1i—Cg2i179.8 (6)
C2i—C1i—Ce1i—C8i−135.7 (3)C19i—C9i—C8i—Cg2i−176.2 (6)
C2i—C1i—Ce1i—C9i−95.7 (4)C19i—C9i—C10i—C20i11.2 (8)
C2i—C1i—Ce1i—Cg1i56.2 (3)C19i—C9i—C10i—Cg2i176.2 (6)
C2i—C1i—Ce1i—Cg2i−111.1 (3)C20i—C10i—C6i—Cg2i164.8 (6)
C2i—C1i—C5i—C4i−0.8 (6)C20i—C10i—C9i—Cg2i−165.0 (6)
C2i—C1i—C5i—C15i170.9 (5)C21i—N1i—Ce1i—Cg1i−68.5 (4)
C2i—C1i—C5i—Cg1i−0.3 (3)C21i—N1i—Ce1i—Cg2i71.5 (4)
C2i—C1i—Cg1i—C3i−0.2 (7)C21i—N1i—C25i—C24i1.6 (8)
C2i—C1i—Cg1i—C4i−179.4 (6)C21i—N1i—C25i—C26i−176.9 (5)
C2i—C1i—Cg1i—C5i179.7 (4)C21i—C22i—C23i—C24i1.7 (9)
C2i—C3i—Ce1i—C4i−113.2 (5)C22i—C21i—N1i—C25i−1.3 (8)
C2i—C3i—Ce1i—C5i−75.6 (4)C22i—C23i—C24i—C25i−1.5 (9)
C2i—C3i—Ce1i—C6i12.2 (4)C23i—C24i—C25i—C26i178.2 (5)
C2i—C3i—Ce1i—C7i−19.0 (5)C24i—C25i—C26i—C27i−6.8 (8)
C2i—C3i—Ce1i—C9i77.9 (4)C25i—N1i—Ce1i—Cg1i105.0 (4)
C2i—C3i—Ce1i—Cg1i−55.8 (3)C25i—N1i—Ce1i—Cg2i−115.0 (4)
C2i—C3i—Ce1i—Cg2i31.2 (5)C25i—C26i—N2i—C30i178.6 (5)
C2i—C3i—C4i—C5i−0.6 (6)C25i—C26i—C27i—C28i−178.1 (5)
C2i—C3i—C4i—C14i−177.5 (5)C26i—N2i—Ce1i—Cg1i−84.9 (4)
C2i—C3i—C4i—Cg1i−0.2 (3)C26i—N2i—Ce1i—Cg2i84.2 (4)
C2i—C3i—Cg1i—C4i179.7 (4)C26i—N2i—C30i—C29i0.4 (9)
C2i—C3i—Cg1i—C5i−179.5 (6)C26i—C27i—C28i—C29i−1.5 (9)
C2i—Cg1i—Ce1i—C3i72.2 (4)C27i—C26i—N2i—C30i−1.2 (8)
C2i—Cg1i—Ce1i—C4i144.0 (4)C27i—C28i—C29i—C30i0.8 (9)
C2i—Cg1i—Ce1i—C5i−143.7 (4)C30i—N2i—Ce1i—Cg1i100.1 (4)
C2i—Cg1i—Ce1i—C6i−52.9 (3)C30i—N2i—Ce1i—Cg2i−90.8 (4)
C2i—Cg1i—Ce1i—C7i−84.5 (3)Cg1i—Ce1i—C6i—Cg2i−178.3 (2)
C2i—Cg1i—Ce1i—C8i−93.3 (4)Cg1i—Ce1i—C7i—Cg2i131.2 (2)
C2i—Cg1i—Ce1i—C9i−18.4 (4)Cg1i—Ce1i—C8i—Cg2i71.5 (4)
C2i—Cg1i—Ce1i—Cg2i−54.0 (3)Cg1i—Ce1i—C9i—Cg2i−64.4 (4)
C2i—Cg1i—C1i—C5i−179.7 (4)Cg1i—C1i—Ce1i—Cg2i−167.3 (2)
C2i—Cg1i—C1i—C11i−98 (3)Cg1i—C2i—Ce1i—Cg2i141.5 (2)
C2i—Cg1i—C3i—C4i−179.7 (4)Cg1i—C3i—Ce1i—Cg2i87.0 (3)
C2i—Cg1i—C3i—C13i109 (5)Cg1i—C4i—Ce1i—Cg2i−40.7 (6)
C2i—Cg1i—C4i—C3i0.5 (7)Cg1i—C5i—Ce1i—Cg2i−116.6 (2)
C2i—Cg1i—C4i—C5i−180.0 (5)
Symmetry codes: (i) −x, −y, −z; (ii) x−1/2, −y+1/2, z−1/2; (iii) −x+1/2, y−1/2, −z−1/2; (iv) x+1/2, −y+1/2, z−1/2; (v) −x+1/2, y−1/2, −z+1/2; (vi) −x+1/2, y+1/2, −z+1/2.
Table 1
Selected geometric parameters (Å, °) top
Ce1—O12.649 (3)Ce1—Cg12.5382 (3)
Ce1—N12.603 (4)Ce1—Cg22.5439 (3)
Ce1—N22.677 (4)
O1—Ce1—N1142.7 (1)N1—Ce1—N261.3 (1)
O1—Ce1—N281.5 (1)
Acknowledgements top

We thank Drs Fred Hollander and Allen Oliver, Professor Kenneth Raymond, and Bryan Tiedmann.

references
References top

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