supplementary materials


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 m3
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 mm1
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 = 014
13359 measured reflectionsk = 017
4860 independent reflectionsl = 1818
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 Å3
4860 reflectionsΔρmin = 1.12 e Å3
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 mm1
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 Å3
S = 1.38Δρmin = 1.12 e Å3
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)
O30.0092 (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)
C260.0168 (4)0.3092 (3)0.1180 (3)0.015 (2)
C270.1290 (5)0.3157 (4)0.1323 (3)0.023 (2)
C280.2033 (5)0.2773 (4)0.0781 (4)0.024 (2)
C290.1645 (5)0.2348 (4)0.0096 (4)0.030 (2)
C300.0525 (5)0.2314 (4)0.0017 (4)0.028 (2)
C310.1636 (5)0.0382 (4)0.2135 (3)0.022 (2)
H11A0.52480.25810.07750.0416*
H11B0.56020.30970.00110.0416*
H11C0.56460.35360.08540.0416*
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*
H14A0.06820.38230.09720.0358*
H14B0.12030.46150.14140.0358*
H14C0.13230.36900.17860.0358*
H15A0.36370.23790.17930.0331*
H15B0.27700.29970.21920.0331*
H15C0.39990.32680.21540.0331*
H16A0.55280.11590.14140.0316*
H16B0.54470.15150.05150.0316*
H16C0.52790.21360.12610.0316*
H17A0.41830.11040.06520.0310*
H17B0.43130.01570.03350.0310*
H17C0.32210.04490.07610.0310*
H18A0.17160.02730.00260.0351*
H18B0.10140.05600.01040.0351*
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*
H240.03760.41290.25250.0260*
H270.15420.34680.17920.0277*
H280.27970.27980.08800.0288*
H290.21320.20840.02960.0358*
H300.02620.20210.04910.0344*
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—O363.2 (9)C2i—Cg1i—C5i—C4i180.0 (5)
Ce1—O1—S1—C31175.1 (8)C2i—Cg1i—C5i—C15i73 (4)
Ce1—N1—C21—C22172.6 (4)C3i—Ce1i—N1i—C21i78.8 (4)
Ce1—N1—C25—C24172.0 (4)C3i—Ce1i—N1i—C25i94.6 (4)
Ce1—N1—C25—C269.6 (6)C3i—Ce1i—N2i—C26i69.6 (4)
Ce1—N2—C26—C253.4 (6)C3i—Ce1i—N2i—C30i115.4 (4)
Ce1—N2—C26—C27176.4 (4)C3i—Ce1i—C1i—C5i77.2 (3)
Ce1—N2—C30—C29175.6 (5)C3i—Ce1i—C1i—C11i162.0 (5)
Ce1—C1—C2—C367.5 (4)C3i—Ce1i—C1i—Cg1i19.9 (2)
Ce1—C1—C2—C12122.0 (5)C3i—Ce1i—C2i—C12i124.0 (7)
Ce1—C1—C2—Cg167.6 (2)C3i—Ce1i—C2i—Cg1i57.4 (3)
Ce1—C1—C5—C468.8 (4)C3i—Ce1i—C4i—C5i112.7 (5)
Ce1—C1—C5—C15119.5 (5)C3i—Ce1i—C4i—C14i124.6 (6)
Ce1—C1—C5—Cg169.2 (2)C3i—Ce1i—C4i—Cg1i56.3 (3)
Ce1—C1—Cg1—C291.8 (3)C3i—Ce1i—C5i—C4i37.2 (3)
Ce1—C1—Cg1—C391.7 (6)C3i—Ce1i—C5i—C15i162.7 (5)
Ce1—C1—Cg1—C487.6 (6)C3i—Ce1i—C5i—Cg1i19.6 (2)
Ce1—C1—Cg1—C588.5 (3)C3i—Ce1i—C6i—C7i145.6 (3)
Ce1—C2—C1—C567.9 (4)C3i—Ce1i—C6i—C10i101.4 (3)
Ce1—C2—C1—C11123.1 (6)C3i—Ce1i—C6i—C16i23.8 (5)
Ce1—C2—C1—Cg167.6 (2)C3i—Ce1i—C6i—Cg2i156.1 (2)
Ce1—C2—C3—C467.5 (4)C3i—Ce1i—C7i—C6i57.8 (5)
Ce1—C2—C3—C13119.1 (6)C3i—Ce1i—C7i—C8i169.2 (3)
Ce1—C2—C3—Cg167.8 (2)C3i—Ce1i—C7i—C17i67.0 (5)
Ce1—C2—Cg1—C190.1 (3)C3i—Ce1i—C7i—Cg2i113.0 (3)
Ce1—C2—Cg1—C389.8 (3)C3i—Ce1i—C8i—Cg2i13 (1)
Ce1—C2—Cg1—C489.3 (5)C3i—Ce1i—C9i—C8i172.7 (3)
Ce1—C2—Cg1—C590.7 (5)C3i—Ce1i—C9i—C10i59.5 (4)
Ce1—C3—C2—C167.7 (4)C3i—Ce1i—C9i—C19i65.6 (5)
Ce1—C3—C2—C12122.1 (5)C3i—Ce1i—C9i—Cg2i114.2 (3)
Ce1—C3—C2—Cg167.8 (2)C3i—Ce1i—Cg1i—C4i71.8 (4)
Ce1—C3—C4—C570.2 (4)C3i—Ce1i—Cg1i—C5i144.1 (4)
Ce1—C3—C4—C14113.0 (6)C3i—Ce1i—Cg2i—C6i38.2 (3)
Ce1—C3—C4—Cg169.8 (2)C3i—Ce1i—Cg2i—C7i110.2 (3)
Ce1—C3—Cg1—C191.8 (6)C3i—Ce1i—Cg2i—C8i177.2 (3)
Ce1—C3—Cg1—C291.9 (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—C13116.7 (6)C3i—C2i—Ce1i—C6i170.1 (3)
Ce1—C4—C3—Cg169.8 (2)C3i—C2i—Ce1i—C7i168.3 (3)
Ce1—C4—C5—C170.3 (4)C3i—C2i—Ce1i—C8i172.5 (3)
Ce1—C4—C5—C15118.5 (6)C3i—C2i—Ce1i—C9i132.6 (3)
Ce1—C4—C5—Cg170.8 (2)C3i—C2i—Ce1i—Cg1i57.4 (3)
Ce1—C4—Cg1—C188.5 (6)C3i—C2i—Ce1i—Cg2i161.2 (3)
Ce1—C4—Cg1—C290.6 (5)C3i—C2i—C1i—C5i0.4 (6)
Ce1—C4—Cg1—C391.1 (3)C3i—C2i—C1i—C11i169.4 (5)
Ce1—C4—Cg1—C589.4 (3)C3i—C2i—C1i—Cg1i0.1 (4)
Ce1—C5—C1—C269.5 (4)C3i—C2i—Cg1i—C4i0.5 (7)
Ce1—C5—C1—C11121.1 (5)C3i—C2i—Cg1i—C5i179.6 (6)
Ce1—C5—C1—Cg169.2 (2)C3i—C4i—Ce1i—C5i112.7 (5)
Ce1—C5—C4—C371.2 (4)C3i—C4i—Ce1i—C6i79.7 (4)
Ce1—C5—C4—C14112.0 (5)C3i—C4i—Ce1i—C7i125.0 (3)
Ce1—C5—C4—Cg170.8 (2)C3i—C4i—Ce1i—C8i173.7 (4)
Ce1—C5—Cg1—C191.2 (3)C3i—C4i—Ce1i—Cg1i56.3 (3)
Ce1—C5—Cg1—C291.7 (5)C3i—C4i—Ce1i—Cg2i97.0 (5)
Ce1—C5—Cg1—C389.0 (6)C3i—C4i—C5i—C15i170.4 (5)
Ce1—C5—Cg1—C488.3 (3)C3i—C4i—C5i—Cg1i0.4 (4)
Ce1—C6—C7—C871.1 (3)C3i—C4i—Cg1i—C5i179.5 (4)
Ce1—C6—C7—C17106.5 (5)C3i—Cg1i—Ce1i—C4i71.8 (4)
Ce1—C6—C7—Cg271.2 (2)C3i—Cg1i—Ce1i—C5i144.1 (4)
Ce1—C6—C10—C964.4 (4)C3i—Cg1i—Ce1i—C6i125.1 (3)
Ce1—C6—C10—C20129.8 (5)C3i—Cg1i—Ce1i—C7i156.7 (3)
Ce1—C6—C10—Cg265.4 (2)C3i—Cg1i—Ce1i—C8i165.5 (4)
Ce1—C6—Cg2—C784.6 (3)C3i—Cg1i—Ce1i—C9i90.6 (4)
Ce1—C6—Cg2—C884.3 (5)C3i—Cg1i—Ce1i—Cg2i126.2 (3)
Ce1—C6—Cg2—C994.4 (5)C3i—Cg1i—C1i—C5i179.8 (6)
Ce1—C6—Cg2—C1096.2 (3)C3i—Cg1i—C1i—C11i98 (3)
Ce1—C7—C6—C1071.9 (4)C3i—Cg1i—C2i—C12i98 (4)
Ce1—C7—C6—C16118.2 (5)C3i—Cg1i—C4i—C5i179.5 (4)
Ce1—C7—C6—Cg271.2 (2)C3i—Cg1i—C4i—C14i109 (13)
Ce1—C7—C8—C973.3 (4)C3i—Cg1i—C5i—C4i0.7 (7)
Ce1—C7—C8—C18111.4 (5)C3i—Cg1i—C5i—C15i105 (3)
Ce1—C7—C8—Cg273.8 (2)C4i—Ce1i—N1i—C21i94.4 (4)
Ce1—C7—Cg2—C692.2 (3)C4i—Ce1i—N1i—C25i79.1 (4)
Ce1—C7—Cg2—C887.6 (3)C4i—Ce1i—N2i—C26i98.8 (4)
Ce1—C7—Cg2—C986.7 (5)C4i—Ce1i—N2i—C30i86.1 (5)
Ce1—C7—Cg2—C1093.5 (5)C4i—Ce1i—C1i—C5i37.5 (3)
Ce1—C8—C7—C673.6 (4)C4i—Ce1i—C1i—C11i158.3 (5)
Ce1—C8—C7—C17104.0 (5)C4i—Ce1i—C1i—Cg1i19.8 (2)
Ce1—C8—C7—Cg273.8 (2)C4i—Ce1i—C2i—C12i161.2 (6)
Ce1—C8—C9—C1070.7 (4)C4i—Ce1i—C2i—Cg1i20.1 (2)
Ce1—C8—C9—C19114.0 (5)C4i—Ce1i—C3i—C13i120.2 (6)
Ce1—C8—C9—Cg269.8 (2)C4i—Ce1i—C3i—Cg1i57.4 (3)
Ce1—C8—Cg2—C685.7 (5)C4i—Ce1i—C5i—C15i125.5 (6)
Ce1—C8—Cg2—C786.0 (3)C4i—Ce1i—C5i—Cg1i56.8 (3)
Ce1—C8—Cg2—C993.4 (3)C4i—Ce1i—C6i—C7i109.1 (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—C18115.2 (5)C4i—Ce1i—C6i—Cg2i167.5 (2)
Ce1—C9—C8—Cg269.8 (2)C4i—Ce1i—C7i—C6i105.6 (4)
Ce1—C9—C10—C663.7 (4)C4i—Ce1i—C7i—C8i143.0 (3)
Ce1—C9—C10—C20130.4 (5)C4i—Ce1i—C7i—C17i19.2 (5)
Ce1—C9—C10—Cg264.7 (2)C4i—Ce1i—C7i—Cg2i160.8 (2)
Ce1—C9—Cg2—C693.9 (5)C4i—Ce1i—C8i—C7i79.2 (5)
Ce1—C9—Cg2—C784.5 (5)C4i—Ce1i—C8i—C9i168.3 (4)
Ce1—C9—Cg2—C885.3 (3)C4i—Ce1i—C8i—C18i45.1 (7)
Ce1—C9—Cg2—C1095.7 (3)C4i—Ce1i—C8i—Cg2i136.3 (3)
Ce1—Cg1—C1—C291.8 (3)C4i—Ce1i—C9i—Cg2i159 (1)
Ce1—Cg1—C1—C588.5 (3)C4i—Ce1i—Cg1i—C5i72.3 (4)
Ce1—Cg1—C1—C11169 (3)C4i—Ce1i—Cg2i—C6i27.9 (5)
Ce1—Cg1—C2—C190.1 (3)C4i—Ce1i—Cg2i—C7i44.1 (5)
Ce1—Cg1—C2—C389.8 (3)C4i—Ce1i—Cg2i—C8i116.6 (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—C487.8 (3)C4i—C3i—Ce1i—C5i37.6 (3)
Ce1—Cg1—C3—C13158 (5)C4i—C3i—Ce1i—C6i125.3 (3)
Ce1—Cg1—C4—C391.1 (3)C4i—C3i—Ce1i—C7i94.1 (4)
Ce1—Cg1—C4—C589.4 (3)C4i—C3i—Ce1i—C9i168.9 (3)
Ce1—Cg1—C4—C14159 (13)C4i—C3i—Ce1i—Cg1i57.4 (3)
Ce1—Cg1—C5—C191.2 (3)C4i—C3i—Ce1i—Cg2i144.4 (3)
Ce1—Cg1—C5—C488.3 (3)C4i—C3i—C2i—C12i170.4 (5)
Ce1—Cg1—C5—C15165 (3)C4i—C3i—C2i—Cg1i0.3 (3)
Ce1—Cg2—C6—C784.6 (3)C4i—C3i—Cg1i—C5i0.7 (7)
Ce1—Cg2—C6—C1096.2 (3)C4i—C5i—Ce1i—C6i156.8 (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—C887.6 (3)C4i—C5i—Ce1i—C9i175.8 (4)
Ce1—Cg2—C7—C172(16)C4i—C5i—Ce1i—Cg1i56.8 (3)
Ce1—Cg2—C8—C786.0 (3)C4i—C5i—Ce1i—Cg2i173.4 (3)
Ce1—Cg2—C8—C993.4 (3)C4i—C5i—C1i—C11i170.1 (5)
Ce1—Cg2—C8—C18163 (7)C4i—C5i—C1i—Cg1i0.5 (4)
Ce1—Cg2—C9—C885.3 (3)C4i—Cg1i—Ce1i—C5i72.3 (4)
Ce1—Cg2—C9—C1095.7 (3)C4i—Cg1i—Ce1i—C6i163.1 (3)
Ce1—Cg2—C9—C19176 (9)C4i—Cg1i—Ce1i—C7i131.5 (3)
Ce1—Cg2—C10—C688.6 (3)C4i—Cg1i—Ce1i—C8i122.7 (4)
Ce1—Cg2—C10—C990.3 (3)C4i—Cg1i—Ce1i—C9i162.4 (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—C195.2 (9)C4i—Cg1i—C2i—C12i98 (4)
S1—O1—Ce1—C276.5 (9)C4i—Cg1i—C3i—C13i70 (5)
S1—O1—Ce1—C346.8 (9)C4i—Cg1i—C5i—C15i106 (4)
S1—O1—Ce1—C450.1 (9)C5i—Ce1i—N1i—C21i74.6 (4)
S1—O1—Ce1—C579.6 (9)C5i—Ce1i—N1i—C25i98.8 (4)
S1—O1—Ce1—C6172.5 (9)C5i—Ce1i—N2i—C26i112.3 (4)
S1—O1—Ce1—C7166.0 (9)C5i—Ce1i—N2i—C30i72.7 (5)
S1—O1—Ce1—C8135.1 (9)C5i—Ce1i—C1i—C11i120.8 (6)
S1—O1—Ce1—C9123.2 (9)C5i—Ce1i—C1i—Cg1i57.3 (3)
S1—O1—Ce1—Cg169.7 (9)C5i—Ce1i—C2i—C12i158.5 (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—O2174.9 (4)C5i—Ce1i—C3i—Cg1i19.8 (2)
F1—C31—S1—O353.7 (4)C5i—Ce1i—C4i—C14i122.6 (6)
F2—C31—S1—O1175.0 (4)C5i—Ce1i—C4i—Cg1i56.4 (3)
F2—C31—S1—O255.6 (4)C5i—Ce1i—C6i—C7i92.2 (3)
F2—C31—S1—O365.6 (4)C5i—Ce1i—C6i—C10i154.7 (3)
F3—C31—S1—O156.1 (4)C5i—Ce1i—C6i—C16i29.6 (5)
F3—C31—S1—O263.3 (4)C5i—Ce1i—C6i—Cg2i150.6 (2)
F3—C31—S1—O3175.5 (4)C5i—Ce1i—C7i—C6i99.2 (3)
O1—Ce1—N1—C21179.9 (3)C5i—Ce1i—C7i—C8i149.4 (3)
O1—Ce1—N1—C256.4 (5)C5i—Ce1i—C7i—C17i25.5 (4)
O1—Ce1—N2—C26179.8 (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—C18i82.2 (5)
O1—Ce1—C1—C1188.8 (5)C5i—Ce1i—C8i—Cg2i99.2 (3)
O1—Ce1—C1—Cg189.3 (2)C5i—Ce1i—C9i—C8i54.2 (5)
O1—Ce1—C2—C141.1 (4)C5i—Ce1i—C9i—C10i58.9 (6)
O1—Ce1—C2—C373.6 (4)C5i—Ce1i—C9i—C19i176.0 (4)
O1—Ce1—C2—C12162.5 (5)C5i—Ce1i—C9i—Cg2i4.2 (6)
O1—Ce1—C2—Cg116.2 (4)C5i—Ce1i—Cg2i—C6i38.4 (3)
O1—Ce1—C3—C2119.6 (3)C5i—Ce1i—Cg2i—C7i33.6 (3)
O1—Ce1—C3—C46.5 (4)C5i—Ce1i—Cg2i—C8i106.1 (3)
O1—Ce1—C3—C13113.7 (4)C5i—Ce1i—Cg2i—C9i177.8 (3)
O1—Ce1—C3—Cg163.9 (3)C5i—Ce1i—Cg2i—C10i109.9 (3)
O1—Ce1—C4—C3173.8 (4)C5i—C1i—Ce1i—C6i139.9 (3)
O1—Ce1—C4—C573.4 (3)C5i—C1i—Ce1i—C7i112.1 (3)
O1—Ce1—C4—C1449.2 (4)C5i—C1i—Ce1i—C8i110.8 (3)
O1—Ce1—C4—Cg1129.8 (3)C5i—C1i—Ce1i—C9i150.8 (3)
O1—Ce1—C5—C1147.0 (3)C5i—C1i—Ce1i—Cg1i57.3 (3)
O1—Ce1—C5—C4100.0 (3)C5i—C1i—Ce1i—Cg2i135.4 (3)
O1—Ce1—C5—C1525.5 (4)C5i—C1i—C2i—C12i170.1 (5)
O1—Ce1—C5—Cg1156.8 (3)C5i—C1i—C2i—Cg1i0.3 (3)
O1—Ce1—C6—C712.9 (3)C5i—C4i—Ce1i—C6i33.1 (4)
O1—Ce1—C6—C10126.0 (3)C5i—C4i—Ce1i—C7i12.2 (4)
O1—Ce1—C6—C16108.9 (4)C5i—C4i—Ce1i—C8i61.0 (6)
O1—Ce1—C6—Cg271.3 (3)C5i—C4i—Ce1i—Cg1i56.4 (3)
O1—Ce1—C7—C6167.5 (3)C5i—C4i—Ce1i—Cg2i15.7 (6)
O1—Ce1—C7—C881.1 (3)C5i—C4i—C3i—C13i173.0 (5)
O1—Ce1—C7—C1742.7 (4)C5i—C4i—C3i—Cg1i0.4 (4)
O1—Ce1—C7—Cg2137.3 (3)C5i—Cg1i—Ce1i—C6i90.8 (3)
O1—Ce1—C8—C791.9 (3)C5i—Cg1i—Ce1i—C7i59.1 (3)
O1—Ce1—C8—C9155.6 (3)C5i—Cg1i—Ce1i—C8i50.4 (4)
O1—Ce1—C8—C1832.4 (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—C1997.5 (4)C5i—Cg1i—C3i—C13i70 (5)
O1—Ce1—C9—Cg282.7 (2)C5i—Cg1i—C4i—C14i69 (13)
O1—Ce1—Cg1—C194.4 (3)C6i—Ce1i—N1i—C21i46.5 (4)
O1—Ce1—Cg1—C2166.1 (3)C6i—Ce1i—N1i—C25i140.1 (4)
O1—Ce1—Cg1—C3121.7 (3)C6i—Ce1i—N2i—C26i73.9 (4)
O1—Ce1—Cg1—C449.9 (3)C6i—Ce1i—N2i—C30i101.1 (5)
O1—Ce1—Cg1—C522.5 (3)C6i—Ce1i—C1i—C11i19.1 (5)
O1—Ce1—Cg2—C6114.3 (3)C6i—Ce1i—C1i—Cg1i162.8 (3)
O1—Ce1—Cg2—C742.2 (3)C6i—Ce1i—C2i—C12i46.1 (5)
O1—Ce1—Cg2—C830.3 (3)C6i—Ce1i—C2i—Cg1i132.5 (3)
O1—Ce1—Cg2—C9102.0 (3)C6i—Ce1i—C3i—C13i114.5 (5)
O1—Ce1—Cg2—C10174.3 (3)C6i—Ce1i—C3i—Cg1i67.9 (3)
N1—Ce1—N2—C260.7 (4)C6i—Ce1i—C4i—C14i155.7 (4)
N1—Ce1—N2—C30174.3 (5)C6i—Ce1i—C4i—Cg1i23.3 (4)
N1—Ce1—C1—C28.5 (3)C6i—Ce1i—C5i—C15i77.7 (4)
N1—Ce1—C1—C5122.0 (3)C6i—Ce1i—C5i—Cg1i100.0 (3)
N1—Ce1—C1—C11117.3 (5)C6i—Ce1i—C7i—C8i111.4 (5)
N1—Ce1—C1—Cg164.7 (3)C6i—Ce1i—C7i—C17i124.7 (5)
N1—Ce1—C2—C1171.8 (3)C6i—Ce1i—C7i—Cg2i55.2 (3)
N1—Ce1—C2—C373.4 (3)C6i—Ce1i—C8i—C7i37.8 (3)
N1—Ce1—C2—C1250.5 (5)C6i—Ce1i—C8i—C9i74.6 (3)
N1—Ce1—C2—Cg1130.8 (3)C6i—Ce1i—C8i—C18i162.2 (5)
N1—Ce1—C3—C299.6 (3)C6i—Ce1i—C8i—Cg2i19.3 (2)
N1—Ce1—C3—C4147.2 (4)C6i—Ce1i—C9i—C8i78.4 (3)
N1—Ce1—C3—C1327.1 (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—Cg2i20.0 (2)
N1—Ce1—C4—C5144.3 (3)C6i—Ce1i—Cg2i—C7i72.0 (4)
N1—Ce1—C4—C1493.1 (4)C6i—Ce1i—Cg2i—C8i144.5 (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—C442.6 (4)C6i—C7i—Ce1i—C8i111.4 (5)
N1—Ce1—C5—C15168.0 (4)C6i—C7i—Ce1i—C9i74.5 (3)
N1—Ce1—C5—Cg114.2 (3)C6i—C7i—Ce1i—Cg1i76.0 (3)
N1—Ce1—C6—C7139.7 (3)C6i—C7i—Ce1i—Cg2i55.2 (3)
N1—Ce1—C6—C1026.6 (3)C6i—C7i—C8i—C9i0.3 (6)
N1—Ce1—C6—C1698.6 (4)C6i—C7i—C8i—C18i174.9 (5)
N1—Ce1—C6—Cg281.3 (3)C6i—C7i—C8i—Cg2i0.2 (3)
N1—Ce1—C7—C647.5 (4)C6i—C7i—Cg2i—C8i179.8 (4)
N1—Ce1—C7—C864.0 (3)C6i—C7i—Cg2i—C9i179.0 (5)
N1—Ce1—C7—C17172.2 (3)C6i—C7i—Cg2i—C10i1.3 (6)
N1—Ce1—C7—Cg27.7 (3)C6i—C10i—C9i—C8i1.8 (6)
N1—Ce1—C8—C7126.5 (3)C6i—C10i—C9i—C19i177.2 (5)
N1—Ce1—C8—C914.0 (3)C6i—C10i—C9i—Cg2i1.0 (3)
N1—Ce1—C8—C18109.2 (4)C6i—C10i—Cg2i—C7i1.3 (6)
N1—Ce1—C8—Cg269.4 (3)C6i—C10i—Cg2i—C8i179.5 (5)
N1—Ce1—C9—C8165.9 (3)C6i—C10i—Cg2i—C9i178.9 (4)
N1—Ce1—C9—C1081.0 (3)C6i—Cg2i—Ce1i—C7i72.0 (4)
N1—Ce1—C9—C1944.1 (4)C6i—Cg2i—Ce1i—C8i144.5 (4)
N1—Ce1—C9—Cg2135.7 (3)C6i—Cg2i—Ce1i—C9i143.8 (4)
N1—Ce1—Cg1—C1120.3 (3)C6i—Cg2i—Ce1i—Cg1i2.4 (3)
N1—Ce1—Cg1—C248.6 (3)C6i—Cg2i—C7i—C8i179.8 (4)
N1—Ce1—Cg1—C323.6 (3)C6i—Cg2i—C7i—C17i90 (16)
N1—Ce1—Cg1—C495.4 (3)C6i—Cg2i—C8i—C7i0.3 (6)
N1—Ce1—Cg1—C5167.8 (3)C6i—Cg2i—C8i—C9i179.2 (5)
N1i—Ce1i—Cg2i—C6i101.2 (3)C6i—Cg2i—C8i—C18i110 (7)
N1i—Ce1i—Cg2i—C7i173.3 (3)C6i—Cg2i—C9i—C8i179.2 (5)
N1i—Ce1i—Cg2i—C8i114.2 (3)C6i—Cg2i—C9i—C10i1.8 (6)
N1i—Ce1i—Cg2i—C9i42.5 (3)C6i—Cg2i—C9i—C19i82 (9)
N1i—Ce1i—Cg2i—C10i29.7 (3)C6i—Cg2i—C10i—C9i178.9 (4)
N1i—C21i—C22i—C23i0.3 (9)C6i—Cg2i—C10i—C20i93 (2)
N1i—C25i—C24i—C23i0.2 (9)C7i—Ce1i—N1i—C21i68.1 (4)
N1i—C25i—C26i—N2i8.2 (7)C7i—Ce1i—N1i—C25i118.4 (4)
N1i—C25i—C26i—C27i171.7 (5)C7i—Ce1i—N2i—C26i109.3 (4)
N2i—Ce1i—N1i—C21i179.1 (4)C7i—Ce1i—N2i—C30i65.7 (5)
N2i—Ce1i—N1i—C25i5.7 (4)C7i—Ce1i—C1i—C11i8.7 (5)
N2i—Ce1i—C1i—C2i58.7 (4)C7i—Ce1i—C1i—Cg1i169.4 (2)
N2i—Ce1i—C1i—C5i54.8 (4)C7i—Ce1i—C2i—C12i67.7 (6)
N2i—Ce1i—C1i—C11i175.5 (4)C7i—Ce1i—C2i—Cg1i111.0 (3)
N2i—Ce1i—C1i—Cg1i2.5 (4)C7i—Ce1i—C3i—C13i145.7 (4)
N2i—Ce1i—C2i—C1i138.3 (3)C7i—Ce1i—C3i—Cg1i36.7 (4)
N2i—Ce1i—C2i—C3i23.5 (4)C7i—Ce1i—C4i—C14i110.4 (4)
N2i—Ce1i—C2i—C12i100.4 (5)C7i—Ce1i—C4i—Cg1i68.6 (4)
N2i—Ce1i—C2i—Cg1i80.9 (3)C7i—Ce1i—C5i—C15i46.0 (5)
N2i—Ce1i—C3i—C2i159.2 (3)C7i—Ce1i—C5i—Cg1i131.7 (2)
N2i—Ce1i—C3i—C4i87.6 (3)C7i—Ce1i—C6i—C10i113.1 (5)
N2i—Ce1i—C3i—C13i32.6 (5)C7i—Ce1i—C6i—C16i121.8 (6)
N2i—Ce1i—C3i—Cg1i145.0 (3)C7i—Ce1i—C6i—Cg2i58.4 (3)
N2i—Ce1i—C4i—C3i92.4 (3)C7i—Ce1i—C8i—C9i112.5 (5)
N2i—Ce1i—C4i—C5i154.9 (3)C7i—Ce1i—C8i—C18i124.3 (6)
N2i—Ce1i—C4i—C14i32.2 (4)C7i—Ce1i—C8i—Cg2i57.1 (3)
N2i—Ce1i—C4i—Cg1i148.7 (3)C7i—Ce1i—C9i—C8i38.3 (3)
N2i—Ce1i—C5i—C1i141.2 (3)C7i—Ce1i—C9i—C10i74.9 (3)
N2i—Ce1i—C5i—C4i28.1 (4)C7i—Ce1i—C9i—C19i160.0 (5)
N2i—Ce1i—C5i—C15i97.3 (4)C7i—Ce1i—C9i—Cg2i20.2 (2)
N2i—Ce1i—C5i—Cg1i85.0 (3)C7i—Ce1i—Cg2i—C8i72.5 (4)
N2i—Ce1i—C6i—C7i81.7 (4)C7i—Ce1i—Cg2i—C9i144.2 (4)
N2i—Ce1i—C6i—C10i31.3 (4)C7i—Ce1i—Cg2i—C10i143.5 (4)
N2i—Ce1i—C6i—C16i156.5 (4)C7i—C6i—Ce1i—C8i38.6 (3)
N2i—Ce1i—C6i—Cg2i23.3 (3)C7i—C6i—Ce1i—C9i78.2 (3)
N2i—Ce1i—C7i—C6i120.2 (3)C7i—C6i—Ce1i—Cg1i119.9 (3)
N2i—Ce1i—C7i—C8i8.8 (4)C7i—C6i—Ce1i—Cg2i58.4 (3)
N2i—Ce1i—C7i—C17i115.1 (4)C7i—C6i—C10i—C9i1.6 (6)
N2i—Ce1i—C7i—Cg2i65.0 (3)C7i—C6i—C10i—C20i164.2 (5)
N2i—Ce1i—C8i—C7i172.6 (3)C7i—C6i—C10i—Cg2i0.7 (3)
N2i—Ce1i—C8i—C9i75.0 (3)C7i—C6i—Cg2i—C8i0.3 (6)
N2i—Ce1i—C8i—C18i48.2 (4)C7i—C6i—Cg2i—C9i179.0 (5)
N2i—Ce1i—C8i—Cg2i130.3 (3)C7i—C6i—Cg2i—C10i179.2 (4)
N2i—Ce1i—C9i—C8i104.2 (3)C7i—C8i—Ce1i—C9i112.5 (5)
N2i—Ce1i—C9i—C10i142.6 (3)C7i—C8i—Ce1i—Cg1i14.4 (5)
N2i—Ce1i—C9i—C19i17.5 (4)C7i—C8i—Ce1i—Cg2i57.1 (3)
N2i—Ce1i—C9i—Cg2i162.7 (3)C7i—C8i—C9i—C10i1.3 (6)
N2i—Ce1i—Cg1i—C1i178.1 (3)C7i—C8i—C9i—C19i176.6 (5)
N2i—Ce1i—Cg1i—C2i110.1 (3)C7i—C8i—C9i—Cg2i0.4 (3)
N2i—Ce1i—Cg1i—C3i38.0 (3)C7i—C8i—Cg2i—C9i179.5 (4)
N2i—Ce1i—Cg1i—C4i33.8 (3)C7i—C8i—Cg2i—C10i178.9 (5)
N2i—Ce1i—Cg1i—C5i106.2 (3)C7i—Cg2i—Ce1i—C8i72.5 (4)
N2i—Ce1i—Cg2i—C6i162.0 (3)C7i—Cg2i—Ce1i—C9i144.2 (4)
N2i—Ce1i—Cg2i—C7i126.0 (3)C7i—Cg2i—Ce1i—Cg1i69.6 (3)
N2i—Ce1i—Cg2i—C8i53.5 (3)C7i—Cg2i—C6i—C10i179.2 (4)
N2i—Ce1i—Cg2i—C9i18.2 (3)C7i—Cg2i—C6i—C16i96 (4)
N2i—Ce1i—Cg2i—C10i90.5 (3)C7i—Cg2i—C8i—C9i179.5 (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—C21i45.7 (4)C7i—Cg2i—C9i—C19i98 (9)
C1i—Ce1i—N1i—C25i127.8 (4)C7i—Cg2i—C10i—C9i179.8 (5)
C1i—Ce1i—N2i—C26i86.0 (4)C7i—Cg2i—C10i—C20i91 (2)
C1i—Ce1i—N2i—C30i98.9 (5)C8i—Ce1i—N1i—C21i95.8 (4)
C1i—Ce1i—C2i—C3i114.7 (5)C8i—Ce1i—N1i—C25i90.7 (4)
C1i—Ce1i—C2i—C12i121.3 (7)C8i—Ce1i—N2i—C26i104.9 (4)
C1i—Ce1i—C2i—Cg1i57.4 (3)C8i—Ce1i—N2i—C30i70.1 (5)
C1i—Ce1i—C3i—C2i36.0 (3)C8i—Ce1i—C1i—C11i10.0 (5)
C1i—Ce1i—C3i—C4i77.1 (4)C8i—Ce1i—C1i—Cg1i168.1 (2)
C1i—Ce1i—C3i—C13i162.7 (5)C8i—Ce1i—C2i—C12i48.5 (6)
C1i—Ce1i—C3i—Cg1i19.8 (2)C8i—Ce1i—C2i—Cg1i130.2 (3)
C1i—Ce1i—C4i—C3i75.8 (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—Cg1i117.4 (4)
C1i—Ce1i—C4i—Cg1i19.5 (2)C8i—Ce1i—C5i—C15i25.0 (5)
C1i—Ce1i—C5i—C4i113.0 (5)C8i—Ce1i—C5i—Cg1i152.7 (2)
C1i—Ce1i—C5i—C15i121.5 (6)C8i—Ce1i—C6i—C10i74.5 (3)
C1i—Ce1i—C5i—Cg1i56.2 (3)C8i—Ce1i—C6i—C16i160.4 (5)
C1i—Ce1i—C6i—C7i112.0 (3)C8i—Ce1i—C6i—Cg2i19.8 (2)
C1i—Ce1i—C6i—C10i135.0 (3)C8i—Ce1i—C7i—C17i123.9 (5)
C1i—Ce1i—C6i—C16i9.8 (4)C8i—Ce1i—C7i—Cg2i56.2 (3)
C1i—Ce1i—C6i—Cg2i170.3 (3)C8i—Ce1i—C9i—C10i113.1 (5)
C1i—Ce1i—C7i—C6i70.5 (3)C8i—Ce1i—C9i—C19i121.8 (6)
C1i—Ce1i—C7i—C8i178.1 (3)C8i—Ce1i—C9i—Cg2i58.5 (3)
C1i—Ce1i—C7i—C17i54.2 (4)C8i—Ce1i—Cg2i—C9i71.7 (4)
C1i—Ce1i—C7i—Cg2i125.7 (2)C8i—Ce1i—Cg2i—C10i144.0 (4)
C1i—Ce1i—C8i—C7i2.5 (4)C8i—C7i—Ce1i—C9i37.0 (3)
C1i—Ce1i—C8i—C9i114.9 (3)C8i—C7i—Ce1i—Cg1i172.6 (3)
C1i—Ce1i—C8i—C18i121.9 (4)C8i—C7i—Ce1i—Cg2i56.2 (3)
C1i—Ce1i—C8i—Cg2i59.6 (3)C8i—C7i—C6i—C10i0.8 (6)
C1i—Ce1i—C9i—C8i93.2 (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—C9i0.8 (6)
C1i—Ce1i—C9i—Cg2i34.7 (4)C8i—C7i—Cg2i—C10i178.9 (5)
C1i—Ce1i—Cg1i—C2i71.7 (4)C8i—C9i—Ce1i—Cg1i122.9 (3)
C1i—Ce1i—Cg1i—C3i143.9 (4)C8i—C9i—Ce1i—Cg2i58.5 (3)
C1i—Ce1i—Cg1i—C4i144.3 (4)C8i—C9i—C10i—C20i164.1 (5)
C1i—Ce1i—Cg1i—C5i71.9 (4)C8i—C9i—C10i—Cg2i0.8 (3)
C1i—Ce1i—Cg2i—C6i10.6 (3)C8i—C9i—Cg2i—C10i179.0 (4)
C1i—Ce1i—Cg2i—C7i61.4 (3)C8i—Cg2i—Ce1i—C9i71.7 (4)
C1i—Ce1i—Cg2i—C8i133.9 (3)C8i—Cg2i—Ce1i—Cg1i142.1 (3)
C1i—Ce1i—Cg2i—C9i154.4 (3)C8i—Cg2i—C6i—C10i179.5 (5)
C1i—Ce1i—Cg2i—C10i82.1 (3)C8i—Cg2i—C6i—C16i96 (3)
C1i—C2i—Ce1i—C3i114.7 (5)C8i—Cg2i—C7i—C17i89 (16)
C1i—C2i—Ce1i—C4i77.4 (3)C8i—Cg2i—C9i—C10i179.0 (4)
C1i—C2i—Ce1i—C5i37.1 (3)C8i—Cg2i—C9i—C19i97 (9)
C1i—C2i—Ce1i—C6i75.2 (3)C8i—Cg2i—C10i—C9i1.6 (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—C25i97.8 (4)
C1i—C2i—Ce1i—Cg1i57.4 (3)C9i—Ce1i—N2i—C26i76.6 (4)
C1i—C2i—Ce1i—Cg2i84.1 (3)C9i—Ce1i—N2i—C30i98.5 (4)
C1i—C2i—C3i—C4i0.2 (6)C9i—Ce1i—C1i—C11i30.0 (6)
C1i—C2i—C3i—C13i173.2 (6)C9i—Ce1i—C1i—Cg1i151.9 (2)
C1i—C2i—C3i—Cg1i0.1 (4)C9i—Ce1i—C2i—C12i8.6 (6)
C1i—C2i—Cg1i—C3i179.9 (4)C9i—Ce1i—C2i—Cg1i170.1 (2)
C1i—C2i—Cg1i—C4i179.4 (6)C9i—Ce1i—C3i—C13i48.7 (6)
C1i—C2i—Cg1i—C5i0.5 (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—Cg1i119.0 (4)
C1i—C5i—Ce1i—C6i43.8 (4)C9i—Ce1i—C6i—C10i34.9 (3)
C1i—C5i—Ce1i—C7i75.5 (3)C9i—Ce1i—C6i—C16i160.0 (5)
C1i—C5i—Ce1i—C8i96.5 (4)C9i—Ce1i—C6i—Cg2i19.8 (2)
C1i—C5i—Ce1i—C9i62.8 (5)C9i—Ce1i—C7i—C17i160.8 (5)
C1i—C5i—Ce1i—Cg1i56.2 (3)C9i—Ce1i—C7i—Cg2i19.3 (2)
C1i—C5i—Ce1i—Cg2i60.4 (4)C9i—Ce1i—C8i—C18i123.2 (6)
C1i—C5i—C4i—C3i0.9 (6)C9i—Ce1i—C8i—Cg2i55.4 (3)
C1i—C5i—C4i—C14i177.7 (5)C9i—Ce1i—Cg2i—C10i72.3 (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—C17i177.3 (5)
C1i—C5i—Cg1i—C4i179.4 (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—C16i171.8 (5)
C1i—Cg1i—Ce1i—C4i144.3 (4)C9i—C10i—C6i—Cg2i1.0 (3)
C1i—Cg1i—Ce1i—C5i71.9 (4)C9i—Cg2i—Ce1i—Cg1i146.2 (3)
C1i—Cg1i—Ce1i—C6i18.9 (3)C9i—Cg2i—C6i—C10i1.8 (6)
C1i—Cg1i—Ce1i—C7i12.8 (3)C9i—Cg2i—C6i—C16i84 (4)
C1i—Cg1i—Ce1i—C8i21.6 (4)C9i—Cg2i—C7i—C17i88 (16)
C1i—Cg1i—Ce1i—C9i53.3 (4)C9i—Cg2i—C8i—C18i69 (7)
C1i—Cg1i—Ce1i—Cg2i17.7 (3)C9i—Cg2i—C10i—C20i88 (2)
C1i—Cg1i—C2i—C3i179.9 (4)C10i—C6i—Ce1i—Cg1i127.1 (3)
C1i—Cg1i—C2i—C12i82 (4)C10i—C6i—Ce1i—Cg2i54.7 (3)
C1i—Cg1i—C3i—C2i0.2 (7)C10i—C6i—C7i—C17i178.4 (5)
C1i—Cg1i—C3i—C4i179.5 (6)C10i—C6i—C7i—Cg2i0.7 (3)
C1i—Cg1i—C3i—C13i109 (5)C10i—C9i—Ce1i—Cg1i9.7 (5)
C1i—Cg1i—C4i—C3i179.5 (6)C10i—C9i—Ce1i—Cg2i54.7 (3)
C1i—Cg1i—C4i—C5i0.9 (7)C10i—C9i—C8i—C18i174.1 (5)
C1i—Cg1i—C4i—C14i70 (13)C10i—C9i—C8i—Cg2i0.8 (3)
C1i—Cg1i—C5i—C4i179.4 (4)C10i—Cg2i—Ce1i—Cg1i73.9 (3)
C1i—Cg1i—C5i—C15i73 (3)C10i—Cg2i—C6i—C16i82 (3)
C2i—Ce1i—N1i—C21i49.8 (4)C10i—Cg2i—C7i—C17i91 (16)
C2i—Ce1i—N1i—C25i123.7 (4)C10i—Cg2i—C8i—C18i68 (7)
C2i—Ce1i—N2i—C26i58.4 (4)C10i—Cg2i—C9i—C19i81 (9)
C2i—Ce1i—N2i—C30i126.6 (4)C11i—C1i—Ce1i—Cg1i178.1 (6)
C2i—Ce1i—C1i—C5i113.5 (5)C11i—C1i—Ce1i—Cg2i14.6 (5)
C2i—Ce1i—C1i—C11i125.7 (6)C11i—C1i—C2i—C12i1.1 (9)
C2i—Ce1i—C1i—Cg1i56.2 (3)C11i—C1i—C2i—Cg1i169.3 (7)
C2i—Ce1i—C3i—C4i113.2 (5)C11i—C1i—C5i—C15i1.6 (9)
C2i—Ce1i—C3i—C13i126.7 (6)C11i—C1i—C5i—Cg1i169.6 (6)
C2i—Ce1i—C3i—Cg1i55.8 (3)C12i—C2i—Ce1i—Cg1i178.7 (7)
C2i—Ce1i—C4i—C3i36.9 (3)C12i—C2i—Ce1i—Cg2i37.2 (5)
C2i—Ce1i—C4i—C5i75.9 (4)C12i—C2i—C1i—Cg1i170.4 (6)
C2i—Ce1i—C4i—C14i161.5 (5)C12i—C2i—C3i—C13i3.0 (9)
C2i—Ce1i—C4i—Cg1i19.5 (2)C12i—C2i—C3i—Cg1i170.1 (6)
C2i—Ce1i—C5i—C4i76.5 (3)C13i—C3i—Ce1i—Cg1i177.6 (6)
C2i—Ce1i—C5i—C15i158.0 (5)C13i—C3i—Ce1i—Cg2i95.4 (5)
C2i—Ce1i—C5i—Cg1i19.7 (2)C13i—C3i—C2i—Cg1i173.1 (7)
C2i—Ce1i—C6i—C7i139.7 (3)C13i—C3i—C4i—C14i3.8 (9)
C2i—Ce1i—C6i—C10i107.3 (3)C13i—C3i—C4i—Cg1i173.4 (6)
C2i—Ce1i—C6i—C16i17.9 (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—Cg1i177.2 (6)
C2i—Ce1i—C7i—C8i158.7 (3)C14i—C4i—C5i—C15i6.5 (9)
C2i—Ce1i—C7i—C17i77.4 (4)C14i—C4i—C5i—Cg1i177.3 (6)
C2i—Ce1i—C7i—Cg2i102.5 (3)C15i—C5i—Ce1i—Cg1i177.7 (6)
C2i—Ce1i—C8i—C7i34.7 (5)C15i—C5i—Ce1i—Cg2i61.1 (5)
C2i—Ce1i—C8i—C9i77.7 (4)C15i—C5i—C1i—Cg1i171.2 (6)
C2i—Ce1i—C8i—C18i159.0 (4)C15i—C5i—C4i—Cg1i170.7 (7)
C2i—Ce1i—C8i—Cg2i22.4 (5)C16i—C6i—Ce1i—Cg1i1.9 (5)
C2i—Ce1i—C9i—C8i133.2 (3)C16i—C6i—Ce1i—Cg2i179.8 (6)
C2i—Ce1i—C9i—C10i20.0 (4)C16i—C6i—C7i—C17i11.7 (9)
C2i—Ce1i—C9i—C19i105.1 (4)C16i—C6i—C7i—Cg2i170.6 (6)
C2i—Ce1i—C9i—Cg2i74.7 (3)C16i—C6i—C10i—C20i6.0 (8)
C2i—Ce1i—Cg1i—C3i72.2 (4)C16i—C6i—C10i—Cg2i170.8 (6)
C2i—Ce1i—Cg1i—C4i144.0 (4)C17i—C7i—Ce1i—Cg1i48.7 (4)
C2i—Ce1i—Cg1i—C5i143.7 (4)C17i—C7i—Ce1i—Cg2i179.9 (6)
C2i—Ce1i—Cg2i—C6i21.1 (3)C17i—C7i—C6i—Cg2i177.7 (6)
C2i—Ce1i—Cg2i—C7i93.1 (3)C17i—C7i—C8i—C18i7.5 (8)
C2i—Ce1i—Cg2i—C8i165.6 (3)C17i—C7i—C8i—Cg2i177.7 (6)
C2i—Ce1i—Cg2i—C9i122.7 (3)C18i—C8i—Ce1i—Cg1i110.0 (4)
C2i—Ce1i—Cg2i—C10i50.4 (3)C18i—C8i—Ce1i—Cg2i178.6 (6)
C2i—C1i—Ce1i—C3i36.3 (3)C18i—C8i—C7i—Cg2i174.8 (6)
C2i—C1i—Ce1i—C4i76.0 (4)C18i—C8i—C9i—C19i1.2 (8)
C2i—C1i—Ce1i—C5i113.5 (5)C18i—C8i—C9i—Cg2i175.0 (6)
C2i—C1i—Ce1i—C6i106.6 (3)C19i—C9i—Ce1i—Cg1i115.4 (4)
C2i—C1i—Ce1i—C7i134.4 (3)C19i—C9i—Ce1i—Cg2i179.8 (6)
C2i—C1i—Ce1i—C8i135.7 (3)C19i—C9i—C8i—Cg2i176.2 (6)
C2i—C1i—Ce1i—C9i95.7 (4)C19i—C9i—C10i—C20i11.2 (8)
C2i—C1i—Ce1i—Cg1i56.2 (3)C19i—C9i—C10i—Cg2i176.2 (6)
C2i—C1i—Ce1i—Cg2i111.1 (3)C20i—C10i—C6i—Cg2i164.8 (6)
C2i—C1i—C5i—C4i0.8 (6)C20i—C10i—C9i—Cg2i165.0 (6)
C2i—C1i—C5i—C15i170.9 (5)C21i—N1i—Ce1i—Cg1i68.5 (4)
C2i—C1i—C5i—Cg1i0.3 (3)C21i—N1i—Ce1i—Cg2i71.5 (4)
C2i—C1i—Cg1i—C3i0.2 (7)C21i—N1i—C25i—C24i1.6 (8)
C2i—C1i—Cg1i—C4i179.4 (6)C21i—N1i—C25i—C26i176.9 (5)
C2i—C1i—Cg1i—C5i179.7 (4)C21i—C22i—C23i—C24i1.7 (9)
C2i—C3i—Ce1i—C4i113.2 (5)C22i—C21i—N1i—C25i1.3 (8)
C2i—C3i—Ce1i—C5i75.6 (4)C22i—C23i—C24i—C25i1.5 (9)
C2i—C3i—Ce1i—C6i12.2 (4)C23i—C24i—C25i—C26i178.2 (5)
C2i—C3i—Ce1i—C7i19.0 (5)C24i—C25i—C26i—C27i6.8 (8)
C2i—C3i—Ce1i—C9i77.9 (4)C25i—N1i—Ce1i—Cg1i105.0 (4)
C2i—C3i—Ce1i—Cg1i55.8 (3)C25i—N1i—Ce1i—Cg2i115.0 (4)
C2i—C3i—Ce1i—Cg2i31.2 (5)C25i—C26i—N2i—C30i178.6 (5)
C2i—C3i—C4i—C5i0.6 (6)C25i—C26i—C27i—C28i178.1 (5)
C2i—C3i—C4i—C14i177.5 (5)C26i—N2i—Ce1i—Cg1i84.9 (4)
C2i—C3i—C4i—Cg1i0.2 (3)C26i—N2i—Ce1i—Cg2i84.2 (4)
C2i—C3i—Cg1i—C4i179.7 (4)C26i—N2i—C30i—C29i0.4 (9)
C2i—C3i—Cg1i—C5i179.5 (6)C26i—C27i—C28i—C29i1.5 (9)
C2i—Cg1i—Ce1i—C3i72.2 (4)C27i—C26i—N2i—C30i1.2 (8)
C2i—Cg1i—Ce1i—C4i144.0 (4)C27i—C28i—C29i—C30i0.8 (9)
C2i—Cg1i—Ce1i—C5i143.7 (4)C30i—N2i—Ce1i—Cg1i100.1 (4)
C2i—Cg1i—Ce1i—C6i52.9 (3)C30i—N2i—Ce1i—Cg2i90.8 (4)
C2i—Cg1i—Ce1i—C7i84.5 (3)Cg1i—Ce1i—C6i—Cg2i178.3 (2)
C2i—Cg1i—Ce1i—C8i93.3 (4)Cg1i—Ce1i—C7i—Cg2i131.2 (2)
C2i—Cg1i—Ce1i—C9i18.4 (4)Cg1i—Ce1i—C8i—Cg2i71.5 (4)
C2i—Cg1i—Ce1i—Cg2i54.0 (3)Cg1i—Ce1i—C9i—Cg2i64.4 (4)
C2i—Cg1i—C1i—C5i179.7 (4)Cg1i—C1i—Ce1i—Cg2i167.3 (2)
C2i—Cg1i—C1i—C11i98 (3)Cg1i—C2i—Ce1i—Cg2i141.5 (2)
C2i—Cg1i—C3i—C4i179.7 (4)Cg1i—C3i—Ce1i—Cg2i87.0 (3)
C2i—Cg1i—C3i—C13i109 (5)Cg1i—C4i—Ce1i—Cg2i40.7 (6)
C2i—Cg1i—C4i—C3i0.5 (7)Cg1i—C5i—Ce1i—Cg2i116.6 (2)
C2i—Cg1i—C4i—C5i180.0 (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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