(Bipyridyl-κ²N,N′)bis­(η⁵-penta­methyl­cyclo­penta­dien­yl)(trifluoro­methane­sulfonato-κO)cerium(III)

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)°.

Key indicators

• Single-crystal X-ray study
• T = 140 K
• Mean [sigma](C-C) = 0.008 Å
• R factor = 0.035
• wR factor = 0.041
• Data-to-parameter ratio = 13.1

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............      24.72 Deg.

Author Response: Due to the crystal quality diffraction was only observed out to \Q*max*= 24.72 \% with 0.95 data completeness, but the data was virtually complete up to \Q = 22 \% .

Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.95
PLAT413_ALERT_2_B Short Inter XH3 .. XHn     H17B   ..  H17B    ..       2.03 Ang.

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           24.72
           From the CIF: _diffrn_reflns_theta_full          24.72
           From the CIF: _reflns_number_total               4860
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         5134
           Completeness (_total/calc)             94.66%
THETM01_ALERT_3_C  The value of sine(theta_max)/wavelength is less than 0.590
            Calculated sin(theta_max)/wavelength =    0.5884
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.95
PLAT023_ALERT_3_C Resolution (too) Low [sin(th)/Lambda < 0.6].....      24.72 Deg.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT213_ALERT_2_C Atom C2      has ADP max/min Ratio .............       3.40 prola
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C12
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C15

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   C31 H38 Ce1 F3 N2 O3 S1
            Atom count from _chemical_formula_moiety:
PLAT794_ALERT_5_G Check Predicted Bond Valency for Ce1         (3)       0.26

   1 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   6 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

---

S1. Comment

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

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

S2. Experimental

(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.

S3. Refinement

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

Computing details

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

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)

Crystal data

[Ce(CF3O3S)(C10H15)2(C10H8N2)]	F(000) = 1452.00
Mr = 715.83	Dx = 1.576 Mg m^−3
Monoclinic, P21/n	Melting point = 483–485 K
Hall symbol: -P 2yn	Mo Kα radiation, λ = 0.7107 Å
a = 12.162 (1) Å	Cell parameters from 4314 reflections
b = 15.377 (2) Å	θ = 2.5–24.7°
c = 16.132 (1) Å	µ = 1.63 mm^−1
β = 90.938 (2)°	T = 140 K
V = 3016.6 (5) Å^3	Rectangular block, dark brown
Z = 4	0.21 × 0.11 × 0.10 mm

Data collection

Bruker SMART 1000 CCD area-detector diffractometer	3297 reflections with F^2 > 3σ(F^2)
ω scans	Rint = 0.042
Absorption correction: multi-scan (SADABS; Bruker, 2003; Blessing, 1995)	θmax = 24.7°
Tmin = 0.705, Tmax = 0.850	h = 0→14
13359 measured reflections	k = 0→17
4860 independent reflections	l = −18→18

Refinement

Refinement on F	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.035	w = 1/[σ^2(Fo) + 0.00022|Fo|^2]
wR(F^2) = 0.041	(Δ/σ)max = 0.0004
S = 1.38	Δρmax = 0.72 e Å^−3
4860 reflections	Δρmin = −1.12 e Å^−3
370 parameters

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Ce1	0.23757 (2)	0.24695 (2)	0.02756 (2)	0.01241 (8)
S1	0.1044 (1)	0.14345 (9)	−0.18477 (8)	0.0167 (4)
F1	0.1436 (3)	−0.0242 (2)	−0.1591 (2)	0.031 (1)
F2	0.1205 (3)	0.0124 (2)	−0.2862 (2)	0.035 (1)
F3	0.2719 (3)	0.0429 (2)	−0.2222 (2)	0.030 (1)
O1	0.1646 (3)	0.1686 (2)	−0.1088 (2)	0.016 (1)
O2	0.1286 (3)	0.1959 (2)	−0.2561 (2)	0.024 (1)
O3	−0.0092 (3)	0.1232 (2)	−0.1720 (2)	0.024 (1)
N1	0.1725 (3)	0.3264 (3)	0.1606 (3)	0.016 (1)
N2	0.0216 (4)	0.2675 (3)	0.0503 (3)	0.020 (1)
C1	0.4088 (4)	0.3454 (4)	−0.0422 (3)	0.020 (2)
C2	0.3691 (5)	0.3996 (3)	0.0208 (3)	0.021 (2)
C3	0.2612 (5)	0.4267 (3)	−0.0013 (4)	0.019 (2)
C4	0.2343 (5)	0.3885 (4)	−0.0787 (3)	0.020 (2)
C5	0.3260 (5)	0.3388 (3)	−0.1045 (3)	0.019 (2)
C6	0.3959 (4)	0.1369 (3)	0.1037 (3)	0.016 (2)
C7	0.3376 (5)	0.0891 (3)	0.0413 (3)	0.016 (2)
C8	0.2291 (5)	0.0745 (3)	0.0703 (3)	0.017 (2)
C9	0.2203 (4)	0.1134 (3)	0.1498 (3)	0.017 (2)
C10	0.3243 (5)	0.1501 (3)	0.1702 (3)	0.017 (2)
C11	0.5252 (5)	0.3135 (4)	−0.0518 (4)	0.035 (2)
C12	0.4391 (6)	0.4341 (4)	0.0920 (4)	0.036 (2)
C13	0.1903 (6)	0.4916 (4)	0.0417 (4)	0.037 (2)
C14	0.1287 (5)	0.4018 (4)	−0.1287 (4)	0.030 (2)
C15	0.3436 (5)	0.2970 (4)	−0.1873 (4)	0.027 (2)
C16	0.5164 (5)	0.1562 (4)	0.1060 (4)	0.026 (2)
C17	0.3811 (5)	0.0626 (4)	−0.0411 (4)	0.026 (2)
C18	0.1396 (5)	0.0212 (4)	0.0293 (4)	0.029 (2)
C19	0.1235 (5)	0.1100 (4)	0.2046 (4)	0.029 (2)
C20	0.3593 (5)	0.1777 (4)	0.2566 (3)	0.025 (2)
C21	0.2497 (4)	0.3563 (3)	0.2142 (3)	0.018 (2)
C22	0.2264 (5)	0.4076 (4)	0.2821 (3)	0.022 (2)
C23	0.1198 (5)	0.4304 (4)	0.2964 (3)	0.025 (2)
C24	0.0375 (5)	0.3989 (4)	0.2431 (3)	0.022 (2)
C25	0.0667 (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)
C31	0.1636 (5)	0.0382 (4)	−0.2135 (3)	0.022 (2)
H11A	0.5248	0.2581	−0.0775	0.0416*
H11B	0.5602	0.3097	0.0011	0.0416*
H11C	0.5646	0.3536	−0.0854	0.0416*
H12A	0.4683	0.3867	0.1231	0.0447*
H12B	0.4978	0.4677	0.0707	0.0447*
H12C	0.3953	0.4693	0.1267	0.0447*
H13A	0.1223	0.4652	0.0553	0.0452*
H13B	0.2266	0.5107	0.0911	0.0452*
H13C	0.1771	0.5398	0.0063	0.0452*
H14A	0.0682	0.3823	−0.0972	0.0358*
H14B	0.1203	0.4615	−0.1414	0.0358*
H14C	0.1323	0.3690	−0.1786	0.0358*
H15A	0.3637	0.2379	−0.1793	0.0331*
H15B	0.2770	0.2997	−0.2192	0.0331*
H15C	0.3999	0.3268	−0.2154	0.0331*
H16A	0.5528	0.1159	0.1414	0.0316*
H16B	0.5447	0.1515	0.0515	0.0316*
H16C	0.5279	0.2136	0.1261	0.0316*
H17A	0.4183	0.1104	−0.0652	0.0310*
H17B	0.4313	0.0157	−0.0335	0.0310*
H17C	0.3221	0.0449	−0.0761	0.0310*
H18A	0.1716	−0.0273	0.0026	0.0351*
H18B	0.1014	0.0560	−0.0104	0.0351*
H18C	0.0899	0.0017	0.0701	0.0351*
H19A	0.1310	0.0645	0.2448	0.0339*
H19B	0.0571	0.0999	0.1732	0.0339*
H19C	0.1150	0.1639	0.2340	0.0339*
H20A	0.4236	0.2126	0.2535	0.0296*
H20B	0.3020	0.2102	0.2809	0.0296*
H20C	0.3746	0.1276	0.2892	0.0296*
H21	0.3239	0.3416	0.2049	0.0208*
H22	0.2844	0.4263	0.3185	0.0258*
H23	0.1022	0.4664	0.3427	0.0303*
H24	−0.0376	0.4129	0.2525	0.0260*
H27	−0.1542	0.3468	0.1792	0.0277*
H28	−0.2797	0.2798	0.0880	0.0288*
H29	−0.2132	0.2084	−0.0296	0.0358*
H30	−0.0262	0.2021	−0.0491	0.0344*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ce1	0.0125 (2)	0.0120 (2)	0.0127 (2)	−0.0004 (2)	−0.0016 (1)	0.0009 (2)
S1	0.0177 (8)	0.0176 (8)	0.0146 (8)	0.0002 (6)	−0.0032 (6)	−0.0003 (6)
F1	0.041 (2)	0.020 (2)	0.031 (2)	−0.003 (2)	0.002 (2)	0.003 (2)
F2	0.047 (2)	0.032 (2)	0.025 (2)	0.012 (2)	−0.017 (2)	−0.014 (2)
F3	0.018 (2)	0.036 (2)	0.036 (2)	0.005 (2)	0.005 (2)	−0.003 (2)
O1	0.020 (2)	0.016 (2)	0.014 (2)	−0.001 (2)	−0.006 (2)	−0.002 (2)
O2	0.030 (2)	0.025 (2)	0.017 (2)	−0.002 (2)	−0.002 (2)	0.007 (2)
O3	0.017 (2)	0.030 (2)	0.026 (2)	−0.003 (2)	−0.002 (2)	−0.005 (2)
N1	0.015 (3)	0.017 (3)	0.018 (3)	−0.002 (2)	−0.000 (2)	0.000 (2)
N2	0.015 (3)	0.024 (3)	0.021 (3)	0.002 (2)	0.001 (2)	−0.006 (2)
C1	0.020 (3)	0.018 (3)	0.022 (3)	−0.009 (2)	−0.003 (3)	0.004 (3)
C2	0.030 (4)	0.015 (3)	0.017 (3)	−0.016 (3)	−0.002 (3)	0.006 (3)
C3	0.030 (4)	0.011 (3)	0.017 (3)	0.002 (3)	0.002 (3)	0.006 (2)
C4	0.028 (4)	0.017 (3)	0.014 (3)	0.001 (3)	−0.003 (3)	0.011 (2)
C5	0.029 (4)	0.013 (3)	0.016 (3)	−0.003 (2)	0.004 (3)	0.003 (2)
C6	0.016 (3)	0.016 (3)	0.016 (3)	−0.004 (2)	−0.006 (2)	0.006 (2)
C7	0.023 (4)	0.010 (3)	0.016 (3)	0.006 (2)	−0.001 (3)	0.002 (2)
C8	0.023 (3)	0.010 (3)	0.019 (3)	−0.001 (2)	−0.009 (3)	0.006 (2)
C9	0.017 (3)	0.017 (3)	0.017 (3)	−0.003 (2)	0.001 (2)	0.005 (3)
C10	0.024 (3)	0.008 (3)	0.019 (3)	0.002 (2)	−0.004 (3)	0.001 (2)
C11	0.021 (4)	0.046 (4)	0.036 (4)	−0.005 (3)	−0.004 (3)	0.014 (3)
C12	0.048 (5)	0.035 (4)	0.026 (4)	−0.026 (3)	−0.007 (3)	0.007 (3)
C13	0.058 (5)	0.023 (4)	0.030 (4)	0.008 (3)	0.008 (3)	0.009 (3)
C14	0.026 (4)	0.033 (4)	0.031 (4)	0.003 (3)	−0.003 (3)	0.017 (3)
C15	0.027 (4)	0.027 (4)	0.028 (4)	−0.005 (3)	0.006 (3)	−0.002 (3)
C16	0.018 (3)	0.027 (4)	0.034 (4)	0.006 (3)	−0.000 (3)	0.001 (3)
C17	0.026 (4)	0.024 (3)	0.026 (4)	0.008 (3)	−0.007 (3)	−0.001 (3)
C18	0.041 (4)	0.019 (3)	0.027 (4)	−0.018 (3)	−0.015 (3)	0.007 (3)
C19	0.029 (4)	0.032 (4)	0.025 (4)	−0.001 (3)	0.001 (3)	0.010 (3)
C20	0.027 (4)	0.024 (3)	0.021 (3)	0.002 (3)	−0.009 (3)	−0.001 (3)
C21	0.020 (3)	0.016 (3)	0.018 (3)	−0.001 (3)	0.002 (3)	0.001 (3)
C22	0.026 (4)	0.020 (3)	0.020 (3)	−0.008 (3)	−0.003 (3)	−0.003 (3)
C23	0.032 (4)	0.023 (3)	0.019 (3)	0.001 (3)	0.004 (3)	−0.011 (3)
C24	0.017 (3)	0.025 (3)	0.022 (3)	0.004 (3)	0.001 (3)	−0.004 (3)
C25	0.018 (3)	0.015 (3)	0.016 (3)	0.003 (2)	0.001 (2)	0.002 (2)
C26	0.017 (3)	0.016 (3)	0.012 (3)	0.000 (2)	0.000 (2)	0.001 (2)
C27	0.025 (4)	0.030 (3)	0.014 (3)	0.004 (3)	0.003 (3)	0.001 (3)
C28	0.016 (3)	0.030 (4)	0.025 (4)	−0.003 (2)	0.001 (3)	0.001 (3)
C29	0.020 (3)	0.039 (4)	0.031 (4)	−0.002 (3)	−0.006 (3)	−0.007 (3)
C30	0.019 (3)	0.040 (4)	0.027 (4)	0.000 (3)	0.001 (3)	−0.014 (3)
C31	0.028 (4)	0.023 (3)	0.014 (3)	−0.000 (3)	−0.003 (3)	0.000 (3)

Geometric parameters (Å, º)

Ce1—O1	2.649 (3)	C9—C19	1.485 (8)
Ce1—N1	2.603 (4)	C9—Cg2	1.212 (6)
Ce1—N2	2.677 (4)	C10—C20	1.511 (7)
Ce1—C1	2.823 (5)	C10—Cg2	1.197 (5)
Ce1—C2	2.843 (5)	C21—C22	1.383 (7)
Ce1—C3	2.818 (5)	C22—C23	1.366 (8)
Ce1—C4	2.771 (5)	C23—C24	1.396 (7)
Ce1—C5	2.787 (5)	C24—C25	1.398 (7)
Ce1—C6	2.829 (5)	C25—C26	1.485 (7)
Ce1—C7	2.722 (5)	C26—C27	1.392 (8)
Ce1—C8	2.742 (5)	C27—C28	1.381 (8)
Ce1—C9	2.857 (5)	C28—C29	1.373 (9)
Ce1—Cg1	2.5382 (3)	C29—C30	1.379 (8)
Ce1—Cg2	2.5439 (3)	C11—H11A	0.946
S1—O1	1.468 (4)	C11—H11B	0.950
S1—O2	1.440 (4)	C11—H11C	0.955
S1—O3	1.435 (4)	C12—H12A	0.951
S1—C31	1.833 (6)	C12—H12B	0.951
F1—C31	1.326 (6)	C12—H12C	0.948
F2—C31	1.337 (6)	C13—H13A	0.951
F3—C31	1.329 (7)	C13—H13B	0.951
N1—C21	1.348 (6)	C13—H13C	0.948
N1—C25	1.352 (7)	C14—H14A	0.950
N2—C26	1.355 (7)	C14—H14B	0.946
N2—C30	1.342 (7)	C14—H14C	0.951
C1—C2	1.406 (8)	C15—H15A	0.949
C1—C5	1.414 (7)	C15—H15B	0.954
C1—C11	1.509 (8)	C15—H15C	0.945
C1—Cg1	1.204 (6)	C16—H16A	0.947
C2—C3	1.417 (8)	C16—H16B	0.952
C2—C12	1.514 (8)	C16—H16C	0.949
C2—Cg1	1.197 (5)	C17—H17A	0.950
C3—C4	1.414 (8)	C17—H17B	0.951
C3—C13	1.497 (8)	C17—H17C	0.946
C3—Cg1	1.208 (6)	C18—H18A	0.948
C4—C5	1.420 (8)	C18—H18B	0.950
C4—C14	1.519 (8)	C18—H18C	0.948
C4—Cg1	1.203 (5)	C19—H19A	0.957
C5—C15	1.500 (8)	C19—H19B	0.960
C5—Cg1	1.204 (5)	C19—H19C	0.962
C6—C7	1.426 (7)	C20—H20A	0.950
C6—C10	1.406 (7)	C20—H20B	0.948
C6—C16	1.496 (7)	C20—H20C	0.950
C6—Cg2	1.210 (5)	C21—H21	0.945
C7—C8	1.426 (8)	C22—H22	0.955
C7—C17	1.496 (8)	C23—H23	0.956
C7—Cg2	1.212 (6)	C24—H24	0.953
C8—C9	1.419 (8)	C27—H27	0.949
C8—C18	1.507 (7)	C28—H28	0.947
C8—Cg2	1.206 (5)	C29—H29	0.950
C9—C10	1.419 (7)	C30—H30	0.948
Ce1···O1	2.649 (3)	F2···Cg1^iii	3.536 (3)
Ce1···N1	2.603 (4)	F3···C24^iv	3.406 (6)
Ce1···N2	2.677 (4)	F3···C27^iv	3.431 (7)
Ce1···C1	2.823 (5)	F3···C14^iii	3.471 (7)
Ce1···C2	2.843 (5)	O2···C28^iv	3.418 (7)
Ce1···C3	2.818 (5)	O2···C16^ii	3.447 (7)
Ce1···C4	2.771 (5)	O2···C27^iv	3.483 (7)
Ce1···C5	2.787 (5)	O3···C22^ii	3.322 (7)
Ce1···C6	2.829 (5)	O3···C21^ii	3.448 (6)
Ce1···C7	2.722 (5)	O3···C18^i	3.586 (7)
Ce1···C8	2.742 (5)	C6···C23^v	3.568 (7)
Ce1···C9	2.857 (5)	C8···C22^v	3.536 (8)
Ce1···Cg1	2.5382 (3)	C8···C23^v	3.575 (8)
Ce1···Cg2	2.5439 (3)	C9···C22^v	3.407 (7)
F1···C19^i	3.571 (7)	C9···C23^v	3.520 (8)
F2···C12^ii	3.043 (7)	C10···C23^v	3.486 (7)
F2···C5^iii	3.271 (6)	C15···C27^iv	3.408 (8)
F2···C15^iii	3.369 (7)	C18···C18^i	3.57 (1)
F2···C4^iii	3.409 (6)	C23···Cg2^vi	3.340 (6)
O1—Ce1—N1	142.7 (1)	C16—C6—Cg2	172.4 (5)
O1—Ce1—N2	81.5 (1)	Ce1—C7—C6	79.3 (3)
O1—Ce1—C1	98.7 (1)	Ce1—C7—C8	75.6 (3)
O1—Ce1—C2	121.7 (1)	Ce1—C7—C17	109.6 (3)
O1—Ce1—C3	110.0 (1)	Ce1—C7—Cg2	68.6 (2)
O1—Ce1—C4	80.9 (1)	C6—C7—C8	107.5 (5)
O1—Ce1—C5	74.0 (1)	C6—C7—C17	126.1 (5)
O1—Ce1—C6	107.8 (1)	C6—C7—Cg2	53.9 (3)
O1—Ce1—C7	78.8 (1)	C8—C7—C17	126.3 (5)
O1—Ce1—C8	75.9 (1)	C8—C7—Cg2	53.7 (3)
O1—Ce1—C9	102.6 (1)	C17—C7—Cg2	178.2 (5)
O1—Ce1—Cg1	97.60 (8)	Ce1—C8—C7	74.1 (3)
O1—Ce1—Cg2	98.37 (7)	Ce1—C8—C9	79.9 (3)
N1—Ce1—N2	61.3 (1)	Ce1—C8—C18	116.5 (3)
N1—Ce1—C1	108.3 (1)	Ce1—C8—Cg2	67.8 (2)
N1—Ce1—C2	79.8 (2)	C7—C8—C9	108.3 (5)
N1—Ce1—C3	73.1 (2)	C7—C8—C18	127.4 (5)
N1—Ce1—C4	98.1 (1)	C7—C8—Cg2	54.0 (3)
N1—Ce1—C5	121.3 (1)	C9—C8—C18	124.1 (5)
N1—Ce1—C6	97.8 (1)	C9—C8—Cg2	54.2 (3)
N1—Ce1—C7	119.5 (1)	C18—C8—Cg2	175.6 (5)
N1—Ce1—C8	103.5 (2)	Ce1—C9—C8	70.9 (3)
N1—Ce1—C9	75.0 (1)	Ce1—C9—C10	78.4 (3)
N1—Ce1—Cg1	96.33 (9)	Ce1—C9—C19	120.3 (4)
N1—Ce1—Cg2	93.39 (9)	Ce1—C9—Cg2	62.8 (2)
N2—Ce1—C1	136.3 (1)	C8—C9—C10	107.3 (5)
N2—Ce1—C2	117.5 (2)	C8—C9—C19	126.5 (5)
N2—Ce1—C3	90.6 (1)	C8—C9—Cg2	53.9 (3)
N2—Ce1—C4	89.3 (2)	C10—C9—C19	126.0 (5)
N2—Ce1—C5	115.9 (2)	C10—C9—Cg2	53.4 (3)
N2—Ce1—C6	132.3 (1)	C19—C9—Cg2	176.9 (5)
N2—Ce1—C7	122.2 (2)	C6—C10—C9	109.0 (5)
N2—Ce1—C8	92.2 (2)	C6—C10—C20	125.1 (5)
N2—Ce1—C9	84.7 (1)	C6—C10—Cg2	54.7 (3)
N2—Ce1—Cg1	111.10 (10)	C9—C10—C20	124.2 (5)
N2—Ce1—Cg2	108.57 (10)	C9—C10—Cg2	54.4 (3)
C1—Ce1—C2	28.7 (2)	C20—C10—Cg2	167.6 (5)
C1—Ce1—C3	48.0 (2)	N1—C21—C22	123.6 (5)
C1—Ce1—C4	48.3 (2)	C21—C22—C23	119.2 (5)
C1—Ce1—C5	29.2 (1)	C22—C23—C24	118.7 (5)
C1—Ce1—C6	89.6 (2)	C23—C24—C25	119.2 (5)
C1—Ce1—C7	100.3 (2)	N1—C25—C24	122.0 (5)
C1—Ce1—C8	130.5 (2)	N1—C25—C26	115.9 (5)
C1—Ce1—C9	136.3 (2)	C24—C25—C26	122.1 (5)
C1—Ce1—Cg1	25.2 (1)	N2—C26—C25	116.7 (5)
C1—Ce1—Cg2	114.5 (1)	N2—C26—C27	121.3 (5)
C2—Ce1—C3	29.0 (2)	C25—C26—C27	121.9 (5)
C2—Ce1—C4	48.0 (2)	C26—C27—C28	119.8 (5)
C2—Ce1—C5	47.8 (2)	C27—C28—C29	118.9 (6)
C2—Ce1—C6	97.5 (2)	C28—C29—C30	118.5 (5)
C2—Ce1—C7	119.2 (2)	N2—C30—C29	123.9 (5)
C2—Ce1—C8	146.2 (2)	S1—C31—F1	113.2 (4)
C2—Ce1—C9	131.9 (2)	S1—C31—F2	109.5 (4)
C2—Ce1—Cg1	24.9 (1)	S1—C31—F3	111.9 (4)
C2—Ce1—Cg2	121.4 (1)	F1—C31—F2	107.0 (5)
C3—Ce1—C4	29.3 (2)	F1—C31—F3	107.6 (5)
C3—Ce1—C5	48.3 (2)	F2—C31—F3	107.4 (5)
C3—Ce1—C6	126.0 (2)	Ce1—Cg1—C1	90.7 (3)
C3—Ce1—C7	147.2 (2)	Ce1—Cg1—C2	92.0 (2)
C3—Ce1—C8	173.8 (2)	Ce1—Cg1—C3	90.4 (3)
C3—Ce1—C9	145.9 (2)	Ce1—Cg1—C4	88.0 (3)
C3—Ce1—Cg1	25.4 (1)	Ce1—Cg1—C5	88.8 (2)
C3—Ce1—Cg2	147.9 (1)	C1—Cg1—C2	71.7 (4)
C4—Ce1—C5	29.6 (2)	C1—Cg1—C3	143.9 (4)
C4—Ce1—C6	137.8 (2)	C1—Cg1—C4	144.3 (4)
C4—Ce1—C7	138.8 (2)	C1—Cg1—C5	71.9 (4)
C4—Ce1—C8	156.2 (2)	C2—Cg1—C3	72.2 (4)
C4—Ce1—C9	172.4 (2)	C2—Cg1—C4	144.0 (4)
C4—Ce1—Cg1	25.7 (1)	C2—Cg1—C5	143.7 (4)
C4—Ce1—Cg2	161.9 (1)	C3—Cg1—C4	71.8 (4)
C5—Ce1—C6	111.5 (2)	C3—Cg1—C5	144.1 (4)
C5—Ce1—C7	109.7 (2)	C4—Cg1—C5	72.3 (4)
C5—Ce1—C8	134.3 (2)	Ce1—Cg2—C6	90.6 (2)
C5—Ce1—C9	157.7 (2)	Ce1—Cg2—C7	85.1 (2)
C5—Ce1—Cg1	25.6 (1)	Ce1—Cg2—C8	86.2 (2)
C5—Ce1—Cg2	132.7 (1)	Ce1—Cg2—C9	92.1 (2)
C6—Ce1—C7	29.7 (1)	Ce1—Cg2—C10	96.0 (2)
C6—Ce1—C8	48.8 (2)	C6—Cg2—C7	72.2 (4)
C6—Ce1—C9	47.7 (2)	C6—Cg2—C8	144.4 (4)
C6—Ce1—Cg1	113.6 (1)	C6—Cg2—C9	143.7 (4)
C6—Ce1—Cg2	25.3 (1)	C6—Cg2—C10	71.5 (4)
C7—Ce1—C8	30.3 (2)	C7—Cg2—C8	72.3 (4)
C7—Ce1—C9	48.7 (2)	C7—Cg2—C9	144.2 (4)
C7—Ce1—Cg1	125.0 (1)	C7—Cg2—C10	143.7 (4)
C7—Ce1—Cg2	26.3 (1)	C8—Cg2—C9	71.9 (4)
C8—Ce1—C9	29.3 (2)	C8—Cg2—C10	144.0 (4)
C8—Ce1—Cg1	154.8 (1)	C9—Cg2—C10	72.2 (4)
C8—Ce1—Cg2	26.0 (1)	C1—C11—H11A	109.872
C9—Ce1—Cg1	156.1 (1)	C1—C11—H11B	109.542
C9—Ce1—Cg2	25.1 (1)	C1—C11—H11C	109.207
Cg1—Ce1—Cg2	138.91 (1)	H11A—C11—H11B	109.795
O1—S1—O2	114.4 (2)	H11A—C11—H11C	109.368
O1—S1—O3	113.9 (2)	H11B—C11—H11C	109.039
O1—S1—C31	104.5 (2)	C2—C12—H12A	109.352
O2—S1—O3	116.5 (2)	C2—C12—H12B	109.437
O2—S1—C31	101.9 (2)	C2—C12—H12C	109.500
O3—S1—C31	103.2 (3)	H12A—C12—H12B	109.346
Ce1—O1—S1	165.6 (2)	H12A—C12—H12C	109.595
Ce1—N1—C21	118.1 (3)	H12B—C12—H12C	109.598
Ce1—N1—C25	124.3 (3)	C3—C13—H13A	109.386
C21—N1—C25	117.3 (5)	C3—C13—H13B	109.372
Ce1—N2—C26	121.2 (3)	C3—C13—H13C	109.645
Ce1—N2—C30	121.1 (4)	H13A—C13—H13B	109.319
C26—N2—C30	117.5 (5)	H13A—C13—H13C	109.531
Ce1—C1—C2	76.4 (3)	H13B—C13—H13C	109.574
Ce1—C1—C5	74.0 (3)	C4—C14—H14A	109.234
Ce1—C1—C11	124.5 (4)	C4—C14—H14B	109.436
Ce1—C1—Cg1	64.0 (2)	C4—C14—H14C	109.214
C2—C1—C5	107.9 (5)	H14A—C14—H14B	109.789
C2—C1—C11	126.9 (5)	H14A—C14—H14C	109.399
C2—C1—Cg1	53.9 (3)	H14B—C14—H14C	109.753
C5—C1—C11	124.2 (5)	C5—C15—H15A	109.323
C5—C1—Cg1	54.0 (3)	C5—C15—H15B	109.200
C11—C1—Cg1	171.3 (5)	C5—C15—H15C	109.552
Ce1—C2—C1	74.8 (3)	H15A—C15—H15B	109.240
Ce1—C2—C3	74.5 (3)	H15A—C15—H15C	109.960
Ce1—C2—C12	124.8 (4)	H15B—C15—H15C	109.550
Ce1—C2—Cg1	63.2 (2)	C6—C16—H16A	109.465
C1—C2—C3	108.6 (5)	C6—C16—H16B	109.353
C1—C2—C12	124.1 (5)	C6—C16—H16C	109.337
C1—C2—Cg1	54.4 (3)	H16A—C16—H16B	109.548
C3—C2—C12	126.5 (6)	H16A—C16—H16C	109.760
C3—C2—Cg1	54.3 (3)	H16B—C16—H16C	109.363
C12—C2—Cg1	172.0 (5)	C7—C17—H17A	109.281
Ce1—C3—C2	76.5 (3)	C7—C17—H17B	109.130
Ce1—C3—C4	73.5 (3)	C7—C17—H17C	109.451
Ce1—C3—C13	121.1 (4)	H17A—C17—H17B	109.368
Ce1—C3—Cg1	64.2 (2)	H17A—C17—H17C	109.853
C2—C3—C4	107.5 (5)	H17B—C17—H17C	109.742
C2—C3—C13	128.2 (5)	C8—C18—H18A	109.155
C2—C3—Cg1	53.5 (3)	C8—C18—H18B	109.271
C4—C3—C13	124.0 (5)	C8—C18—H18C	109.329
C4—C3—Cg1	53.9 (3)	H18A—C18—H18B	109.655
C13—C3—Cg1	174.2 (5)	H18A—C18—H18C	109.809
Ce1—C4—C3	77.2 (3)	H18B—C18—H18C	109.606
Ce1—C4—C5	75.8 (3)	C9—C19—H19A	111.199
Ce1—C4—C14	115.9 (4)	C9—C19—H19B	111.115
Ce1—C4—Cg1	66.3 (2)	C9—C19—H19C	110.863
C3—C4—C5	108.1 (5)	H19A—C19—H19B	108.049
C3—C4—C14	126.5 (5)	H19A—C19—H19C	107.839
C3—C4—Cg1	54.3 (3)	H19B—C19—H19C	107.624
C5—C4—C14	125.3 (5)	C10—C20—H20A	109.283
C5—C4—Cg1	53.9 (3)	C10—C20—H20B	109.410
C14—C4—Cg1	177.6 (5)	C10—C20—H20C	109.368
Ce1—C5—C1	76.8 (3)	H20A—C20—H20B	109.620
Ce1—C5—C4	74.6 (3)	H20A—C20—H20C	109.491
Ce1—C5—C15	121.7 (4)	H20B—C20—H20C	109.654
Ce1—C5—Cg1	65.6 (2)	N1—C21—H21	118.305
C1—C5—C4	107.8 (5)	C22—C21—H21	118.050
C1—C5—C15	123.5 (5)	C21—C22—H22	120.035
C1—C5—Cg1	54.0 (3)	C23—C22—H22	120.806
C4—C5—C15	128.0 (5)	C22—C23—H23	120.432
C4—C5—Cg1	53.8 (3)	C24—C23—H23	120.873
C15—C5—Cg1	172.4 (5)	C23—C24—H24	120.197
Ce1—C6—C7	71.0 (3)	C25—C24—H24	120.591
Ce1—C6—C10	79.6 (3)	C26—C27—H27	119.979
Ce1—C6—C16	123.5 (3)	C28—C27—H27	120.231
Ce1—C6—Cg2	64.1 (2)	C27—C28—H28	120.632
C7—C6—C10	107.8 (5)	C29—C28—H28	120.450
C7—C6—C16	126.5 (5)	C28—C29—H29	121.253
C7—C6—Cg2	54.0 (3)	C30—C29—H29	120.212
C10—C6—C16	124.9 (5)	N2—C30—H30	117.967
C10—C6—Cg2	53.8 (3)	C29—C30—H30	118.178
Ce1—O1—S1—O2	74.3 (9)	C2—Cg1—C4—C14	110 (13)
Ce1—O1—S1—O3	−63.2 (9)	C2—Cg1—C5—C4	180.0 (5)
Ce1—O1—S1—C31	−175.1 (8)	C2—Cg1—C5—C15	−73 (4)
Ce1—N1—C21—C22	172.6 (4)	C3—Ce1—N1—C21	−78.8 (4)
Ce1—N1—C25—C24	−172.0 (4)	C3—Ce1—N1—C25	94.6 (4)
Ce1—N1—C25—C26	9.6 (6)	C3—Ce1—N2—C26	−69.6 (4)
Ce1—N2—C26—C25	3.4 (6)	C3—Ce1—N2—C30	115.4 (4)
Ce1—N2—C26—C27	−176.4 (4)	C3—Ce1—C1—C5	−77.2 (3)
Ce1—N2—C30—C29	175.6 (5)	C3—Ce1—C1—C11	162.0 (5)
Ce1—C1—C2—C3	−67.5 (4)	C3—Ce1—C1—Cg1	−19.9 (2)
Ce1—C1—C2—C12	122.0 (5)	C3—Ce1—C2—C12	124.0 (7)
Ce1—C1—C2—Cg1	−67.6 (2)	C3—Ce1—C2—Cg1	−57.4 (3)
Ce1—C1—C5—C4	68.8 (4)	C3—Ce1—C4—C5	112.7 (5)
Ce1—C1—C5—C15	−119.5 (5)	C3—Ce1—C4—C14	−124.6 (6)
Ce1—C1—C5—Cg1	69.2 (2)	C3—Ce1—C4—Cg1	56.3 (3)
Ce1—C1—Cg1—C2	91.8 (3)	C3—Ce1—C5—C4	−37.2 (3)
Ce1—C1—Cg1—C3	91.7 (6)	C3—Ce1—C5—C15	−162.7 (5)
Ce1—C1—Cg1—C4	−87.6 (6)	C3—Ce1—C5—Cg1	19.6 (2)
Ce1—C1—Cg1—C5	−88.5 (3)	C3—Ce1—C6—C7	−145.6 (3)
Ce1—C2—C1—C5	67.9 (4)	C3—Ce1—C6—C10	101.4 (3)
Ce1—C2—C1—C11	−123.1 (6)	C3—Ce1—C6—C16	−23.8 (5)
Ce1—C2—C1—Cg1	67.6 (2)	C3—Ce1—C6—Cg2	156.1 (2)
Ce1—C2—C3—C4	−67.5 (4)	C3—Ce1—C7—C6	57.8 (5)
Ce1—C2—C3—C13	119.1 (6)	C3—Ce1—C7—C8	169.2 (3)
Ce1—C2—C3—Cg1	−67.8 (2)	C3—Ce1—C7—C17	−67.0 (5)
Ce1—C2—Cg1—C1	−90.1 (3)	C3—Ce1—C7—Cg2	113.0 (3)
Ce1—C2—Cg1—C3	89.8 (3)	C3—Ce1—C8—Cg2	−13 (1)
Ce1—C2—Cg1—C4	89.3 (5)	C3—Ce1—C9—C8	−172.7 (3)
Ce1—C2—Cg1—C5	−90.7 (5)	C3—Ce1—C9—C10	−59.5 (4)
Ce1—C3—C2—C1	67.7 (4)	C3—Ce1—C9—C19	65.6 (5)
Ce1—C3—C2—C12	−122.1 (5)	C3—Ce1—C9—Cg2	−114.2 (3)
Ce1—C3—C2—Cg1	67.8 (2)	C3—Ce1—Cg1—C4	−71.8 (4)
Ce1—C3—C4—C5	−70.2 (4)	C3—Ce1—Cg1—C5	−144.1 (4)
Ce1—C3—C4—C14	113.0 (6)	C3—Ce1—Cg2—C6	−38.2 (3)
Ce1—C3—C4—Cg1	−69.8 (2)	C3—Ce1—Cg2—C7	−110.2 (3)
Ce1—C3—Cg1—C1	−91.8 (6)	C3—Ce1—Cg2—C8	177.2 (3)
Ce1—C3—Cg1—C2	−91.9 (3)	C3—Ce1—Cg2—C9	105.6 (3)
Ce1—C3—Cg1—C4	87.8 (3)	C3—Ce1—Cg2—C10	33.3 (3)
Ce1—C3—Cg1—C5	88.5 (6)	C3—C2—Ce1—C4	37.3 (3)
Ce1—C4—C3—C2	69.6 (4)	C3—C2—Ce1—C5	77.6 (3)
Ce1—C4—C3—C13	−116.7 (6)	C3—C2—Ce1—C6	−170.1 (3)
Ce1—C4—C3—Cg1	69.8 (2)	C3—C2—Ce1—C7	168.3 (3)
Ce1—C4—C5—C1	−70.3 (4)	C3—C2—Ce1—C8	−172.5 (3)
Ce1—C4—C5—C15	118.5 (6)	C3—C2—Ce1—C9	−132.6 (3)
Ce1—C4—C5—Cg1	−70.8 (2)	C3—C2—Ce1—Cg1	57.4 (3)
Ce1—C4—Cg1—C1	88.5 (6)	C3—C2—Ce1—Cg2	−161.2 (3)
Ce1—C4—Cg1—C2	−90.6 (5)	C3—C2—C1—C5	0.4 (6)
Ce1—C4—Cg1—C3	−91.1 (3)	C3—C2—C1—C11	169.4 (5)
Ce1—C4—Cg1—C5	89.4 (3)	C3—C2—C1—Cg1	0.1 (4)
Ce1—C5—C1—C2	−69.5 (4)	C3—C2—Cg1—C4	−0.5 (7)
Ce1—C5—C1—C11	121.1 (5)	C3—C2—Cg1—C5	179.6 (6)
Ce1—C5—C1—Cg1	−69.2 (2)	C3—C4—Ce1—C5	−112.7 (5)
Ce1—C5—C4—C3	71.2 (4)	C3—C4—Ce1—C6	−79.7 (4)
Ce1—C5—C4—C14	−112.0 (5)	C3—C4—Ce1—C7	−125.0 (3)
Ce1—C5—C4—Cg1	70.8 (2)	C3—C4—Ce1—C8	−173.7 (4)
Ce1—C5—Cg1—C1	91.2 (3)	C3—C4—Ce1—Cg1	−56.3 (3)
Ce1—C5—Cg1—C2	91.7 (5)	C3—C4—Ce1—Cg2	−97.0 (5)
Ce1—C5—Cg1—C3	−89.0 (6)	C3—C4—C5—C15	−170.4 (5)
Ce1—C5—Cg1—C4	−88.3 (3)	C3—C4—C5—Cg1	0.4 (4)
Ce1—C6—C7—C8	−71.1 (3)	C3—C4—Cg1—C5	−179.5 (4)
Ce1—C6—C7—C17	106.5 (5)	C3—Cg1—Ce1—C4	71.8 (4)
Ce1—C6—C7—Cg2	−71.2 (2)	C3—Cg1—Ce1—C5	144.1 (4)
Ce1—C6—C10—C9	64.4 (4)	C3—Cg1—Ce1—C6	−125.1 (3)
Ce1—C6—C10—C20	−129.8 (5)	C3—Cg1—Ce1—C7	−156.7 (3)
Ce1—C6—C10—Cg2	65.4 (2)	C3—Cg1—Ce1—C8	−165.5 (4)
Ce1—C6—Cg2—C7	84.6 (3)	C3—Cg1—Ce1—C9	−90.6 (4)
Ce1—C6—Cg2—C8	84.3 (5)	C3—Cg1—Ce1—Cg2	−126.2 (3)
Ce1—C6—Cg2—C9	−94.4 (5)	C3—Cg1—C1—C5	−179.8 (6)
Ce1—C6—Cg2—C10	−96.2 (3)	C3—Cg1—C1—C11	−98 (3)
Ce1—C7—C6—C10	71.9 (4)	C3—Cg1—C2—C12	−98 (4)
Ce1—C7—C6—C16	−118.2 (5)	C3—Cg1—C4—C5	179.5 (4)
Ce1—C7—C6—Cg2	71.2 (2)	C3—Cg1—C4—C14	109 (13)
Ce1—C7—C8—C9	−73.3 (4)	C3—Cg1—C5—C4	−0.7 (7)
Ce1—C7—C8—C18	111.4 (5)	C3—Cg1—C5—C15	105 (3)
Ce1—C7—C8—Cg2	−73.8 (2)	C4—Ce1—N1—C21	−94.4 (4)
Ce1—C7—Cg2—C6	−92.2 (3)	C4—Ce1—N1—C25	79.1 (4)
Ce1—C7—Cg2—C8	87.6 (3)	C4—Ce1—N2—C26	−98.8 (4)
Ce1—C7—Cg2—C9	86.7 (5)	C4—Ce1—N2—C30	86.1 (5)
Ce1—C7—Cg2—C10	−93.5 (5)	C4—Ce1—C1—C5	−37.5 (3)
Ce1—C8—C7—C6	73.6 (4)	C4—Ce1—C1—C11	−158.3 (5)
Ce1—C8—C7—C17	−104.0 (5)	C4—Ce1—C1—Cg1	19.8 (2)
Ce1—C8—C7—Cg2	73.8 (2)	C4—Ce1—C2—C12	161.2 (6)
Ce1—C8—C9—C10	−70.7 (4)	C4—Ce1—C2—Cg1	−20.1 (2)
Ce1—C8—C9—C19	114.0 (5)	C4—Ce1—C3—C13	120.2 (6)
Ce1—C8—C9—Cg2	−69.8 (2)	C4—Ce1—C3—Cg1	−57.4 (3)
Ce1—C8—Cg2—C6	−85.7 (5)	C4—Ce1—C5—C15	−125.5 (6)
Ce1—C8—Cg2—C7	−86.0 (3)	C4—Ce1—C5—Cg1	56.8 (3)
Ce1—C8—Cg2—C9	93.4 (3)	C4—Ce1—C6—C7	−109.1 (4)
Ce1—C8—Cg2—C10	95.1 (5)	C4—Ce1—C6—C10	137.9 (3)
Ce1—C9—C8—C7	69.4 (3)	C4—Ce1—C6—C16	12.7 (6)
Ce1—C9—C8—C18	−115.2 (5)	C4—Ce1—C6—Cg2	−167.5 (2)
Ce1—C9—C8—Cg2	69.8 (2)	C4—Ce1—C7—C6	105.6 (4)
Ce1—C9—C10—C6	−63.7 (4)	C4—Ce1—C7—C8	−143.0 (3)
Ce1—C9—C10—C20	130.4 (5)	C4—Ce1—C7—C17	−19.2 (5)
Ce1—C9—C10—Cg2	−64.7 (2)	C4—Ce1—C7—Cg2	160.8 (2)
Ce1—C9—Cg2—C6	93.9 (5)	C4—Ce1—C8—C7	79.2 (5)
Ce1—C9—Cg2—C7	−84.5 (5)	C4—Ce1—C8—C9	−168.3 (4)
Ce1—C9—Cg2—C8	−85.3 (3)	C4—Ce1—C8—C18	−45.1 (7)
Ce1—C9—Cg2—C10	95.7 (3)	C4—Ce1—C8—Cg2	136.3 (3)
Ce1—Cg1—C1—C2	−91.8 (3)	C4—Ce1—C9—Cg2	−159 (1)
Ce1—Cg1—C1—C5	88.5 (3)	C4—Ce1—Cg1—C5	−72.3 (4)
Ce1—Cg1—C1—C11	169 (3)	C4—Ce1—Cg2—C6	27.9 (5)
Ce1—Cg1—C2—C1	90.1 (3)	C4—Ce1—Cg2—C7	−44.1 (5)
Ce1—Cg1—C2—C3	−89.8 (3)	C4—Ce1—Cg2—C8	−116.6 (5)
Ce1—Cg1—C2—C12	172 (4)	C4—Ce1—Cg2—C9	171.7 (4)
Ce1—Cg1—C3—C2	91.9 (3)	C4—Ce1—Cg2—C10	99.4 (5)
Ce1—Cg1—C3—C4	−87.8 (3)	C4—C3—Ce1—C5	37.6 (3)
Ce1—Cg1—C3—C13	−158 (5)	C4—C3—Ce1—C6	125.3 (3)
Ce1—Cg1—C4—C3	91.1 (3)	C4—C3—Ce1—C7	94.1 (4)
Ce1—Cg1—C4—C5	−89.4 (3)	C4—C3—Ce1—C9	−168.9 (3)
Ce1—Cg1—C4—C14	−159 (13)	C4—C3—Ce1—Cg1	57.4 (3)
Ce1—Cg1—C5—C1	−91.2 (3)	C4—C3—Ce1—Cg2	144.4 (3)
Ce1—Cg1—C5—C4	88.3 (3)	C4—C3—C2—C12	170.4 (5)
Ce1—Cg1—C5—C15	−165 (3)	C4—C3—C2—Cg1	0.3 (3)
Ce1—Cg2—C6—C7	−84.6 (3)	C4—C3—Cg1—C5	0.7 (7)
Ce1—Cg2—C6—C10	96.2 (3)	C4—C5—Ce1—C6	−156.8 (3)
Ce1—Cg2—C6—C16	178 (3)	C4—C5—Ce1—C7	171.5 (3)
Ce1—Cg2—C7—C6	92.2 (3)	C4—C5—Ce1—C8	150.5 (3)
Ce1—Cg2—C7—C8	−87.6 (3)	C4—C5—Ce1—C9	−175.8 (4)
Ce1—Cg2—C7—C17	2 (16)	C4—C5—Ce1—Cg1	−56.8 (3)
Ce1—Cg2—C8—C7	86.0 (3)	C4—C5—Ce1—Cg2	−173.4 (3)
Ce1—Cg2—C8—C9	−93.4 (3)	C4—C5—C1—C11	−170.1 (5)
Ce1—Cg2—C8—C18	−163 (7)	C4—C5—C1—Cg1	−0.5 (4)
Ce1—Cg2—C9—C8	85.3 (3)	C4—Cg1—Ce1—C5	72.3 (4)
Ce1—Cg2—C9—C10	−95.7 (3)	C4—Cg1—Ce1—C6	163.1 (3)
Ce1—Cg2—C9—C19	−176 (9)	C4—Cg1—Ce1—C7	131.5 (3)
Ce1—Cg2—C10—C6	−88.6 (3)	C4—Cg1—Ce1—C8	122.7 (4)
Ce1—Cg2—C10—C9	90.3 (3)	C4—Cg1—Ce1—C9	−162.4 (4)
Ce1—Cg2—C10—C20	178 (2)	C4—Cg1—Ce1—Cg2	162.0 (3)
S1—O1—Ce1—N1	41.3 (10)	C4—Cg1—C1—C5	0.9 (7)
S1—O1—Ce1—N2	40.6 (9)	C4—Cg1—C1—C11	81 (3)
S1—O1—Ce1—C1	−95.2 (9)	C4—Cg1—C2—C12	−98 (4)
S1—O1—Ce1—C2	−76.5 (9)	C4—Cg1—C3—C13	−70 (5)
S1—O1—Ce1—C3	−46.8 (9)	C4—Cg1—C5—C15	106 (4)
S1—O1—Ce1—C4	−50.1 (9)	C5—Ce1—N1—C21	−74.6 (4)
S1—O1—Ce1—C5	−79.6 (9)	C5—Ce1—N1—C25	98.8 (4)
S1—O1—Ce1—C6	172.5 (9)	C5—Ce1—N2—C26	−112.3 (4)
S1—O1—Ce1—C7	166.0 (9)	C5—Ce1—N2—C30	72.7 (5)
S1—O1—Ce1—C8	135.1 (9)	C5—Ce1—C1—C11	−120.8 (6)
S1—O1—Ce1—C9	123.2 (9)	C5—Ce1—C1—Cg1	57.3 (3)
S1—O1—Ce1—Cg1	−69.7 (9)	C5—Ce1—C2—C12	−158.5 (6)
S1—O1—Ce1—Cg2	148.3 (9)	C5—Ce1—C2—Cg1	20.2 (2)
F1—C31—S1—O1	65.7 (4)	C5—Ce1—C3—C13	157.8 (5)
F1—C31—S1—O2	−174.9 (4)	C5—Ce1—C3—Cg1	−19.8 (2)
F1—C31—S1—O3	−53.7 (4)	C5—Ce1—C4—C14	122.6 (6)
F2—C31—S1—O1	−175.0 (4)	C5—Ce1—C4—Cg1	−56.4 (3)
F2—C31—S1—O2	−55.6 (4)	C5—Ce1—C6—C7	−92.2 (3)
F2—C31—S1—O3	65.6 (4)	C5—Ce1—C6—C10	154.7 (3)
F3—C31—S1—O1	−56.1 (4)	C5—Ce1—C6—C16	29.6 (5)
F3—C31—S1—O2	63.3 (4)	C5—Ce1—C6—Cg2	−150.6 (2)
F3—C31—S1—O3	−175.5 (4)	C5—Ce1—C7—C6	99.2 (3)
O1—Ce1—N1—C21	−179.9 (3)	C5—Ce1—C7—C8	−149.4 (3)
O1—Ce1—N1—C25	−6.4 (5)	C5—Ce1—C7—C17	−25.5 (4)
O1—Ce1—N2—C26	−179.8 (4)	C5—Ce1—C7—Cg2	154.4 (2)
O1—Ce1—N2—C30	5.2 (4)	C5—Ce1—C8—C7	42.1 (4)
O1—Ce1—C1—C2	145.5 (3)	C5—Ce1—C8—C9	154.5 (3)
O1—Ce1—C1—C5	32.0 (3)	C5—Ce1—C8—C18	−82.2 (5)
O1—Ce1—C1—C11	−88.8 (5)	C5—Ce1—C8—Cg2	99.2 (3)
O1—Ce1—C1—Cg1	89.3 (2)	C5—Ce1—C9—C8	−54.2 (5)
O1—Ce1—C2—C1	−41.1 (4)	C5—Ce1—C9—C10	58.9 (6)
O1—Ce1—C2—C3	73.6 (4)	C5—Ce1—C9—C19	−176.0 (4)
O1—Ce1—C2—C12	−162.5 (5)	C5—Ce1—C9—Cg2	4.2 (6)
O1—Ce1—C2—Cg1	16.2 (4)	C5—Ce1—Cg2—C6	38.4 (3)
O1—Ce1—C3—C2	−119.6 (3)	C5—Ce1—Cg2—C7	−33.6 (3)
O1—Ce1—C3—C4	−6.5 (4)	C5—Ce1—Cg2—C8	−106.1 (3)
O1—Ce1—C3—C13	113.7 (4)	C5—Ce1—Cg2—C9	−177.8 (3)
O1—Ce1—C3—Cg1	−63.9 (3)	C5—Ce1—Cg2—C10	109.9 (3)
O1—Ce1—C4—C3	173.8 (4)	C5—C1—Ce1—C6	139.9 (3)
O1—Ce1—C4—C5	−73.4 (3)	C5—C1—Ce1—C7	112.1 (3)
O1—Ce1—C4—C14	49.2 (4)	C5—C1—Ce1—C8	110.8 (3)
O1—Ce1—C4—Cg1	−129.8 (3)	C5—C1—Ce1—C9	150.8 (3)
O1—Ce1—C5—C1	−147.0 (3)	C5—C1—Ce1—Cg1	−57.3 (3)
O1—Ce1—C5—C4	100.0 (3)	C5—C1—Ce1—Cg2	135.4 (3)
O1—Ce1—C5—C15	−25.5 (4)	C5—C1—C2—C12	−170.1 (5)
O1—Ce1—C5—Cg1	156.8 (3)	C5—C1—C2—Cg1	0.3 (3)
O1—Ce1—C6—C7	−12.9 (3)	C5—C4—Ce1—C6	33.1 (4)
O1—Ce1—C6—C10	−126.0 (3)	C5—C4—Ce1—C7	−12.2 (4)
O1—Ce1—C6—C16	108.9 (4)	C5—C4—Ce1—C8	−61.0 (6)
O1—Ce1—C6—Cg2	−71.3 (3)	C5—C4—Ce1—Cg1	56.4 (3)
O1—Ce1—C7—C6	167.5 (3)	C5—C4—Ce1—Cg2	15.7 (6)
O1—Ce1—C7—C8	−81.1 (3)	C5—C4—C3—C13	173.0 (5)
O1—Ce1—C7—C17	42.7 (4)	C5—C4—C3—Cg1	−0.4 (4)
O1—Ce1—C7—Cg2	−137.3 (3)	C5—Cg1—Ce1—C6	90.8 (3)
O1—Ce1—C8—C7	91.9 (3)	C5—Cg1—Ce1—C7	59.1 (3)
O1—Ce1—C8—C9	−155.6 (3)	C5—Cg1—Ce1—C8	50.4 (4)
O1—Ce1—C8—C18	−32.4 (4)	C5—Cg1—Ce1—C9	125.2 (4)
O1—Ce1—C8—Cg2	149.0 (3)	C5—Cg1—Ce1—Cg2	89.7 (3)
O1—Ce1—C9—C8	24.2 (3)	C5—Cg1—C1—C11	81 (3)
O1—Ce1—C9—C10	137.4 (3)	C5—Cg1—C2—C12	81 (4)
O1—Ce1—C9—C19	−97.5 (4)	C5—Cg1—C3—C13	−70 (5)
O1—Ce1—C9—Cg2	82.7 (2)	C5—Cg1—C4—C14	−69 (13)
O1—Ce1—Cg1—C1	−94.4 (3)	C6—Ce1—N1—C21	46.5 (4)
O1—Ce1—Cg1—C2	−166.1 (3)	C6—Ce1—N1—C25	−140.1 (4)
O1—Ce1—Cg1—C3	121.7 (3)	C6—Ce1—N2—C26	73.9 (4)
O1—Ce1—Cg1—C4	49.9 (3)	C6—Ce1—N2—C30	−101.1 (5)
O1—Ce1—Cg1—C5	−22.5 (3)	C6—Ce1—C1—C11	19.1 (5)
O1—Ce1—Cg2—C6	114.3 (3)	C6—Ce1—C1—Cg1	−162.8 (3)
O1—Ce1—Cg2—C7	42.2 (3)	C6—Ce1—C2—C12	−46.1 (5)
O1—Ce1—Cg2—C8	−30.3 (3)	C6—Ce1—C2—Cg1	132.5 (3)
O1—Ce1—Cg2—C9	−102.0 (3)	C6—Ce1—C3—C13	−114.5 (5)
O1—Ce1—Cg2—C10	−174.3 (3)	C6—Ce1—C3—Cg1	67.9 (3)
N1—Ce1—N2—C26	0.7 (4)	C6—Ce1—C4—C14	155.7 (4)
N1—Ce1—N2—C30	−174.3 (5)	C6—Ce1—C4—Cg1	−23.3 (4)
N1—Ce1—C1—C2	−8.5 (3)	C6—Ce1—C5—C15	77.7 (4)
N1—Ce1—C1—C5	−122.0 (3)	C6—Ce1—C5—Cg1	−100.0 (3)
N1—Ce1—C1—C11	117.3 (5)	C6—Ce1—C7—C8	111.4 (5)
N1—Ce1—C1—Cg1	−64.7 (3)	C6—Ce1—C7—C17	−124.7 (5)
N1—Ce1—C2—C1	171.8 (3)	C6—Ce1—C7—Cg2	55.2 (3)
N1—Ce1—C2—C3	−73.4 (3)	C6—Ce1—C8—C7	−37.8 (3)
N1—Ce1—C2—C12	50.5 (5)	C6—Ce1—C8—C9	74.6 (3)
N1—Ce1—C2—Cg1	−130.8 (3)	C6—Ce1—C8—C18	−162.2 (5)
N1—Ce1—C3—C2	99.6 (3)	C6—Ce1—C8—Cg2	19.3 (2)
N1—Ce1—C3—C4	−147.2 (4)	C6—Ce1—C9—C8	−78.4 (3)
N1—Ce1—C3—C13	−27.1 (4)	C6—Ce1—C9—C10	34.7 (3)
N1—Ce1—C3—Cg1	155.4 (3)	C6—Ce1—C9—C19	159.8 (5)
N1—Ce1—C4—C3	31.5 (4)	C6—Ce1—C9—Cg2	−20.0 (2)
N1—Ce1—C4—C5	144.3 (3)	C6—Ce1—Cg2—C7	−72.0 (4)
N1—Ce1—C4—C14	−93.1 (4)	C6—Ce1—Cg2—C8	−144.5 (4)
N1—Ce1—C4—Cg1	87.9 (3)	C6—Ce1—Cg2—C9	143.8 (4)
N1—Ce1—C5—C1	70.4 (4)	C6—Ce1—Cg2—C10	71.5 (4)
N1—Ce1—C5—C4	−42.6 (4)	C6—C7—Ce1—C8	−111.4 (5)
N1—Ce1—C5—C15	−168.0 (4)	C6—C7—Ce1—C9	−74.5 (3)
N1—Ce1—C5—Cg1	14.2 (3)	C6—C7—Ce1—Cg1	76.0 (3)
N1—Ce1—C6—C7	139.7 (3)	C6—C7—Ce1—Cg2	−55.2 (3)
N1—Ce1—C6—C10	26.6 (3)	C6—C7—C8—C9	0.3 (6)
N1—Ce1—C6—C16	−98.6 (4)	C6—C7—C8—C18	−174.9 (5)
N1—Ce1—C6—Cg2	81.3 (3)	C6—C7—C8—Cg2	−0.2 (3)
N1—Ce1—C7—C6	−47.5 (4)	C6—C7—Cg2—C8	179.8 (4)
N1—Ce1—C7—C8	64.0 (3)	C6—C7—Cg2—C9	179.0 (5)
N1—Ce1—C7—C17	−172.2 (3)	C6—C7—Cg2—C10	−1.3 (6)
N1—Ce1—C7—Cg2	7.7 (3)	C6—C10—C9—C8	1.8 (6)
N1—Ce1—C8—C7	−126.5 (3)	C6—C10—C9—C19	177.2 (5)
N1—Ce1—C8—C9	−14.0 (3)	C6—C10—C9—Cg2	1.0 (3)
N1—Ce1—C8—C18	109.2 (4)	C6—C10—Cg2—C7	1.3 (6)
N1—Ce1—C8—Cg2	−69.4 (3)	C6—C10—Cg2—C8	179.5 (5)
N1—Ce1—C9—C8	165.9 (3)	C6—C10—Cg2—C9	−178.9 (4)
N1—Ce1—C9—C10	−81.0 (3)	C6—Cg2—Ce1—C7	72.0 (4)
N1—Ce1—C9—C19	44.1 (4)	C6—Cg2—Ce1—C8	144.5 (4)
N1—Ce1—C9—Cg2	−135.7 (3)	C6—Cg2—Ce1—C9	−143.8 (4)
N1—Ce1—Cg1—C1	120.3 (3)	C6—Cg2—Ce1—Cg1	2.4 (3)
N1—Ce1—Cg1—C2	48.6 (3)	C6—Cg2—C7—C8	−179.8 (4)
N1—Ce1—Cg1—C3	−23.6 (3)	C6—Cg2—C7—C17	−90 (16)
N1—Ce1—Cg1—C4	−95.4 (3)	C6—Cg2—C8—C7	0.3 (6)
N1—Ce1—Cg1—C5	−167.8 (3)	C6—Cg2—C8—C9	−179.2 (5)
N1—Ce1—Cg2—C6	−101.2 (3)	C6—Cg2—C8—C18	110 (7)
N1—Ce1—Cg2—C7	−173.3 (3)	C6—Cg2—C9—C8	179.2 (5)
N1—Ce1—Cg2—C8	114.2 (3)	C6—Cg2—C9—C10	−1.8 (6)
N1—Ce1—Cg2—C9	42.5 (3)	C6—Cg2—C9—C19	−82 (9)
N1—Ce1—Cg2—C10	−29.7 (3)	C6—Cg2—C10—C9	178.9 (4)
N1—C21—C22—C23	−0.3 (9)	C6—Cg2—C10—C20	−93 (2)
N1—C25—C24—C23	−0.2 (9)	C7—Ce1—N1—C21	68.1 (4)
N1—C25—C26—N2	−8.2 (7)	C7—Ce1—N1—C25	−118.4 (4)
N1—C25—C26—C27	171.7 (5)	C7—Ce1—N2—C26	109.3 (4)
N2—Ce1—N1—C21	−179.1 (4)	C7—Ce1—N2—C30	−65.7 (5)
N2—Ce1—N1—C25	−5.7 (4)	C7—Ce1—C1—C11	−8.7 (5)
N2—Ce1—C1—C2	58.7 (4)	C7—Ce1—C1—Cg1	169.4 (2)
N2—Ce1—C1—C5	−54.8 (4)	C7—Ce1—C2—C12	−67.7 (6)
N2—Ce1—C1—C11	−175.5 (4)	C7—Ce1—C2—Cg1	111.0 (3)
N2—Ce1—C1—Cg1	2.5 (4)	C7—Ce1—C3—C13	−145.7 (4)
N2—Ce1—C2—C1	−138.3 (3)	C7—Ce1—C3—Cg1	36.7 (4)
N2—Ce1—C2—C3	−23.5 (4)	C7—Ce1—C4—C14	110.4 (4)
N2—Ce1—C2—C12	100.4 (5)	C7—Ce1—C4—Cg1	−68.6 (4)
N2—Ce1—C2—Cg1	−80.9 (3)	C7—Ce1—C5—C15	46.0 (5)
N2—Ce1—C3—C2	159.2 (3)	C7—Ce1—C5—Cg1	−131.7 (2)
N2—Ce1—C3—C4	−87.6 (3)	C7—Ce1—C6—C10	−113.1 (5)
N2—Ce1—C3—C13	32.6 (5)	C7—Ce1—C6—C16	121.8 (6)
N2—Ce1—C3—Cg1	−145.0 (3)	C7—Ce1—C6—Cg2	−58.4 (3)
N2—Ce1—C4—C3	92.4 (3)	C7—Ce1—C8—C9	112.5 (5)
N2—Ce1—C4—C5	−154.9 (3)	C7—Ce1—C8—C18	−124.3 (6)
N2—Ce1—C4—C14	−32.2 (4)	C7—Ce1—C8—Cg2	57.1 (3)
N2—Ce1—C4—Cg1	148.7 (3)	C7—Ce1—C9—C8	−38.3 (3)
N2—Ce1—C5—C1	141.2 (3)	C7—Ce1—C9—C10	74.9 (3)
N2—Ce1—C5—C4	28.1 (4)	C7—Ce1—C9—C19	−160.0 (5)
N2—Ce1—C5—C15	−97.3 (4)	C7—Ce1—C9—Cg2	20.2 (2)
N2—Ce1—C5—Cg1	85.0 (3)	C7—Ce1—Cg2—C8	−72.5 (4)
N2—Ce1—C6—C7	81.7 (4)	C7—Ce1—Cg2—C9	−144.2 (4)
N2—Ce1—C6—C10	−31.3 (4)	C7—Ce1—Cg2—C10	143.5 (4)
N2—Ce1—C6—C16	−156.5 (4)	C7—C6—Ce1—C8	38.6 (3)
N2—Ce1—C6—Cg2	23.3 (3)	C7—C6—Ce1—C9	78.2 (3)
N2—Ce1—C7—C6	−120.2 (3)	C7—C6—Ce1—Cg1	−119.9 (3)
N2—Ce1—C7—C8	−8.8 (4)	C7—C6—Ce1—Cg2	58.4 (3)
N2—Ce1—C7—C17	115.1 (4)	C7—C6—C10—C9	−1.6 (6)
N2—Ce1—C7—Cg2	−65.0 (3)	C7—C6—C10—C20	164.2 (5)
N2—Ce1—C8—C7	172.6 (3)	C7—C6—C10—Cg2	−0.7 (3)
N2—Ce1—C8—C9	−75.0 (3)	C7—C6—Cg2—C8	−0.3 (6)
N2—Ce1—C8—C18	48.2 (4)	C7—C6—Cg2—C9	−179.0 (5)
N2—Ce1—C8—Cg2	−130.3 (3)	C7—C6—Cg2—C10	179.2 (4)
N2—Ce1—C9—C8	104.2 (3)	C7—C8—Ce1—C9	−112.5 (5)
N2—Ce1—C9—C10	−142.6 (3)	C7—C8—Ce1—Cg1	14.4 (5)
N2—Ce1—C9—C19	−17.5 (4)	C7—C8—Ce1—Cg2	−57.1 (3)
N2—Ce1—C9—Cg2	162.7 (3)	C7—C8—C9—C10	−1.3 (6)
N2—Ce1—Cg1—C1	−178.1 (3)	C7—C8—C9—C19	−176.6 (5)
N2—Ce1—Cg1—C2	110.1 (3)	C7—C8—C9—Cg2	−0.4 (3)
N2—Ce1—Cg1—C3	38.0 (3)	C7—C8—Cg2—C9	179.5 (4)
N2—Ce1—Cg1—C4	−33.8 (3)	C7—C8—Cg2—C10	−178.9 (5)
N2—Ce1—Cg1—C5	−106.2 (3)	C7—Cg2—Ce1—C8	72.5 (4)
N2—Ce1—Cg2—C6	−162.0 (3)	C7—Cg2—Ce1—C9	144.2 (4)
N2—Ce1—Cg2—C7	126.0 (3)	C7—Cg2—Ce1—Cg1	−69.6 (3)
N2—Ce1—Cg2—C8	53.5 (3)	C7—Cg2—C6—C10	−179.2 (4)
N2—Ce1—Cg2—C9	−18.2 (3)	C7—Cg2—C6—C16	−96 (4)
N2—Ce1—Cg2—C10	−90.5 (3)	C7—Cg2—C8—C9	−179.5 (4)
N2—C26—C25—C24	173.4 (5)	C7—Cg2—C8—C18	110 (7)
N2—C26—C27—C28	1.7 (9)	C7—Cg2—C9—C8	0.8 (6)
N2—C30—C29—C28	0 (1)	C7—Cg2—C9—C10	179.8 (5)
C1—Ce1—N1—C21	−45.7 (4)	C7—Cg2—C9—C19	98 (9)
C1—Ce1—N1—C25	127.8 (4)	C7—Cg2—C10—C9	−179.8 (5)
C1—Ce1—N2—C26	−86.0 (4)	C7—Cg2—C10—C20	−91 (2)
C1—Ce1—N2—C30	98.9 (5)	C8—Ce1—N1—C21	95.8 (4)
C1—Ce1—C2—C3	114.7 (5)	C8—Ce1—N1—C25	−90.7 (4)
C1—Ce1—C2—C12	−121.3 (7)	C8—Ce1—N2—C26	104.9 (4)
C1—Ce1—C2—Cg1	57.4 (3)	C8—Ce1—N2—C30	−70.1 (5)
C1—Ce1—C3—C2	−36.0 (3)	C8—Ce1—C1—C11	−10.0 (5)
C1—Ce1—C3—C4	77.1 (4)	C8—Ce1—C1—Cg1	168.1 (2)
C1—Ce1—C3—C13	−162.7 (5)	C8—Ce1—C2—C12	−48.5 (6)
C1—Ce1—C3—Cg1	19.8 (2)	C8—Ce1—C2—Cg1	130.2 (3)
C1—Ce1—C4—C3	−75.8 (4)	C8—Ce1—C3—Cg1	98 (1)
C1—Ce1—C4—C5	36.9 (3)	C8—Ce1—C4—C14	61.7 (6)
C1—Ce1—C4—C14	159.6 (5)	C8—Ce1—C4—Cg1	−117.4 (4)
C1—Ce1—C4—Cg1	−19.5 (2)	C8—Ce1—C5—C15	25.0 (5)
C1—Ce1—C5—C4	−113.0 (5)	C8—Ce1—C5—Cg1	−152.7 (2)
C1—Ce1—C5—C15	121.5 (6)	C8—Ce1—C6—C10	−74.5 (3)
C1—Ce1—C5—Cg1	−56.2 (3)	C8—Ce1—C6—C16	160.4 (5)
C1—Ce1—C6—C7	−112.0 (3)	C8—Ce1—C6—Cg2	−19.8 (2)
C1—Ce1—C6—C10	135.0 (3)	C8—Ce1—C7—C17	123.9 (5)
C1—Ce1—C6—C16	9.8 (4)	C8—Ce1—C7—Cg2	−56.2 (3)
C1—Ce1—C6—Cg2	−170.3 (3)	C8—Ce1—C9—C10	113.1 (5)
C1—Ce1—C7—C6	70.5 (3)	C8—Ce1—C9—C19	−121.8 (6)
C1—Ce1—C7—C8	−178.1 (3)	C8—Ce1—C9—Cg2	58.5 (3)
C1—Ce1—C7—C17	−54.2 (4)	C8—Ce1—Cg2—C9	−71.7 (4)
C1—Ce1—C7—Cg2	125.7 (2)	C8—Ce1—Cg2—C10	−144.0 (4)
C1—Ce1—C8—C7	2.5 (4)	C8—C7—Ce1—C9	37.0 (3)
C1—Ce1—C8—C9	114.9 (3)	C8—C7—Ce1—Cg1	−172.6 (3)
C1—Ce1—C8—C18	−121.9 (4)	C8—C7—Ce1—Cg2	56.2 (3)
C1—Ce1—C8—Cg2	59.6 (3)	C8—C7—C6—C10	0.8 (6)
C1—Ce1—C9—C8	−93.2 (4)	C8—C7—C6—C16	170.7 (5)
C1—Ce1—C9—C10	19.9 (4)	C8—C7—C6—Cg2	0.2 (3)
C1—Ce1—C9—C19	145.1 (4)	C8—C7—Cg2—C9	−0.8 (6)
C1—Ce1—C9—Cg2	−34.7 (4)	C8—C7—Cg2—C10	178.9 (5)
C1—Ce1—Cg1—C2	−71.7 (4)	C8—C9—Ce1—Cg1	−122.9 (3)
C1—Ce1—Cg1—C3	−143.9 (4)	C8—C9—Ce1—Cg2	−58.5 (3)
C1—Ce1—Cg1—C4	144.3 (4)	C8—C9—C10—C20	−164.1 (5)
C1—Ce1—Cg1—C5	71.9 (4)	C8—C9—C10—Cg2	0.8 (3)
C1—Ce1—Cg2—C6	10.6 (3)	C8—C9—Cg2—C10	−179.0 (4)
C1—Ce1—Cg2—C7	−61.4 (3)	C8—Cg2—Ce1—C9	71.7 (4)
C1—Ce1—Cg2—C8	−133.9 (3)	C8—Cg2—Ce1—Cg1	−142.1 (3)
C1—Ce1—Cg2—C9	154.4 (3)	C8—Cg2—C6—C10	−179.5 (5)
C1—Ce1—Cg2—C10	82.1 (3)	C8—Cg2—C6—C16	−96 (3)
C1—C2—Ce1—C3	−114.7 (5)	C8—Cg2—C7—C17	89 (16)
C1—C2—Ce1—C4	−77.4 (3)	C8—Cg2—C9—C10	179.0 (4)
C1—C2—Ce1—C5	−37.1 (3)	C8—Cg2—C9—C19	97 (9)
C1—C2—Ce1—C6	75.2 (3)	C8—Cg2—C10—C9	−1.6 (6)
C1—C2—Ce1—C7	53.6 (4)	C8—Cg2—C10—C20	86 (2)
C1—C2—Ce1—C8	72.8 (4)	C9—Ce1—N1—C21	88.8 (4)
C1—C2—Ce1—C9	112.7 (3)	C9—Ce1—N1—C25	−97.8 (4)
C1—C2—Ce1—Cg1	−57.4 (3)	C9—Ce1—N2—C26	76.6 (4)
C1—C2—Ce1—Cg2	84.1 (3)	C9—Ce1—N2—C30	−98.5 (4)
C1—C2—C3—C4	0.2 (6)	C9—Ce1—C1—C11	30.0 (6)
C1—C2—C3—C13	−173.2 (6)	C9—Ce1—C1—Cg1	−151.9 (2)
C1—C2—C3—Cg1	−0.1 (4)	C9—Ce1—C2—C12	−8.6 (6)
C1—C2—Cg1—C3	179.9 (4)	C9—Ce1—C2—Cg1	170.1 (2)
C1—C2—Cg1—C4	179.4 (6)	C9—Ce1—C3—C13	−48.7 (6)
C1—C2—Cg1—C5	−0.5 (7)	C9—Ce1—C3—Cg1	133.7 (3)
C1—C5—Ce1—C2	36.5 (3)	C9—Ce1—C4—Cg1	111 (1)
C1—C5—Ce1—C3	75.8 (3)	C9—Ce1—C5—C15	58.7 (6)
C1—C5—Ce1—C4	113.0 (5)	C9—Ce1—C5—Cg1	−119.0 (4)
C1—C5—Ce1—C6	−43.8 (4)	C9—Ce1—C6—C10	−34.9 (3)
C1—C5—Ce1—C7	−75.5 (3)	C9—Ce1—C6—C16	−160.0 (5)
C1—C5—Ce1—C8	−96.5 (4)	C9—Ce1—C6—Cg2	19.8 (2)
C1—C5—Ce1—C9	−62.8 (5)	C9—Ce1—C7—C17	160.8 (5)
C1—C5—Ce1—Cg1	56.2 (3)	C9—Ce1—C7—Cg2	−19.3 (2)
C1—C5—Ce1—Cg2	−60.4 (4)	C9—Ce1—C8—C18	123.2 (6)
C1—C5—C4—C3	0.9 (6)	C9—Ce1—C8—Cg2	−55.4 (3)
C1—C5—C4—C14	177.7 (5)	C9—Ce1—Cg2—C10	−72.3 (4)
C1—C5—C4—Cg1	0.5 (4)	C9—C8—Ce1—Cg1	126.8 (3)
C1—C5—Cg1—C2	0.5 (7)	C9—C8—Ce1—Cg2	55.4 (3)
C1—C5—Cg1—C3	179.8 (6)	C9—C8—C7—C17	−177.3 (5)
C1—C5—Cg1—C4	−179.4 (4)	C9—C8—C7—Cg2	0.4 (3)
C1—Cg1—Ce1—C2	71.7 (4)	C9—C8—Cg2—C10	1.6 (6)
C1—Cg1—Ce1—C3	143.9 (4)	C9—C10—C6—C16	−171.8 (5)
C1—Cg1—Ce1—C4	−144.3 (4)	C9—C10—C6—Cg2	−1.0 (3)
C1—Cg1—Ce1—C5	−71.9 (4)	C9—Cg2—Ce1—Cg1	146.2 (3)
C1—Cg1—Ce1—C6	18.9 (3)	C9—Cg2—C6—C10	1.8 (6)
C1—Cg1—Ce1—C7	−12.8 (3)	C9—Cg2—C6—C16	84 (4)
C1—Cg1—Ce1—C8	−21.6 (4)	C9—Cg2—C7—C17	88 (16)
C1—Cg1—Ce1—C9	53.3 (4)	C9—Cg2—C8—C18	−69 (7)
C1—Cg1—Ce1—Cg2	17.7 (3)	C9—Cg2—C10—C20	88 (2)
C1—Cg1—C2—C3	−179.9 (4)	C10—C6—Ce1—Cg1	127.1 (3)
C1—Cg1—C2—C12	82 (4)	C10—C6—Ce1—Cg2	−54.7 (3)
C1—Cg1—C3—C2	0.2 (7)	C10—C6—C7—C17	178.4 (5)
C1—Cg1—C3—C4	−179.5 (6)	C10—C6—C7—Cg2	0.7 (3)
C1—Cg1—C3—C13	109 (5)	C10—C9—Ce1—Cg1	−9.7 (5)
C1—Cg1—C4—C3	179.5 (6)	C10—C9—Ce1—Cg2	54.7 (3)
C1—Cg1—C4—C5	−0.9 (7)	C10—C9—C8—C18	174.1 (5)
C1—Cg1—C4—C14	−70 (13)	C10—C9—C8—Cg2	−0.8 (3)
C1—Cg1—C5—C4	179.4 (4)	C10—Cg2—Ce1—Cg1	73.9 (3)
C1—Cg1—C5—C15	−73 (3)	C10—Cg2—C6—C16	82 (3)
C2—Ce1—N1—C21	−49.8 (4)	C10—Cg2—C7—C17	−91 (16)
C2—Ce1—N1—C25	123.7 (4)	C10—Cg2—C8—C18	−68 (7)
C2—Ce1—N2—C26	−58.4 (4)	C10—Cg2—C9—C19	−81 (9)
C2—Ce1—N2—C30	126.6 (4)	C11—C1—Ce1—Cg1	−178.1 (6)
C2—Ce1—C1—C5	−113.5 (5)	C11—C1—Ce1—Cg2	14.6 (5)
C2—Ce1—C1—C11	125.7 (6)	C11—C1—C2—C12	−1.1 (9)
C2—Ce1—C1—Cg1	−56.2 (3)	C11—C1—C2—Cg1	169.3 (7)
C2—Ce1—C3—C4	113.2 (5)	C11—C1—C5—C15	1.6 (9)
C2—Ce1—C3—C13	−126.7 (6)	C11—C1—C5—Cg1	−169.6 (6)
C2—Ce1—C3—Cg1	55.8 (3)	C12—C2—Ce1—Cg1	−178.7 (7)
C2—Ce1—C4—C3	−36.9 (3)	C12—C2—Ce1—Cg2	−37.2 (5)
C2—Ce1—C4—C5	75.9 (4)	C12—C2—C1—Cg1	−170.4 (6)
C2—Ce1—C4—C14	−161.5 (5)	C12—C2—C3—C13	−3.0 (9)
C2—Ce1—C4—Cg1	19.5 (2)	C12—C2—C3—Cg1	170.1 (6)
C2—Ce1—C5—C4	−76.5 (3)	C13—C3—Ce1—Cg1	177.6 (6)
C2—Ce1—C5—C15	158.0 (5)	C13—C3—Ce1—Cg2	−95.4 (5)
C2—Ce1—C5—Cg1	−19.7 (2)	C13—C3—C2—Cg1	−173.1 (7)
C2—Ce1—C6—C7	−139.7 (3)	C13—C3—C4—C14	−3.8 (9)
C2—Ce1—C6—C10	107.3 (3)	C13—C3—C4—Cg1	173.4 (6)
C2—Ce1—C6—C16	−17.9 (5)	C14—C4—Ce1—Cg1	179.1 (6)
C2—Ce1—C6—Cg2	162.0 (3)	C14—C4—Ce1—Cg2	138.4 (4)
C2—Ce1—C7—C6	47.3 (4)	C14—C4—C3—Cg1	−177.2 (6)
C2—Ce1—C7—C8	158.7 (3)	C14—C4—C5—C15	6.5 (9)
C2—Ce1—C7—C17	−77.4 (4)	C14—C4—C5—Cg1	177.3 (6)
C2—Ce1—C7—Cg2	102.5 (3)	C15—C5—Ce1—Cg1	177.7 (6)
C2—Ce1—C8—C7	−34.7 (5)	C15—C5—Ce1—Cg2	61.1 (5)
C2—Ce1—C8—C9	77.7 (4)	C15—C5—C1—Cg1	171.2 (6)
C2—Ce1—C8—C18	−159.0 (4)	C15—C5—C4—Cg1	−170.7 (7)
C2—Ce1—C8—Cg2	22.4 (5)	C16—C6—Ce1—Cg1	1.9 (5)
C2—Ce1—C9—C8	−133.2 (3)	C16—C6—Ce1—Cg2	−179.8 (6)
C2—Ce1—C9—C10	−20.0 (4)	C16—C6—C7—C17	−11.7 (9)
C2—Ce1—C9—C19	105.1 (4)	C16—C6—C7—Cg2	170.6 (6)
C2—Ce1—C9—Cg2	−74.7 (3)	C16—C6—C10—C20	−6.0 (8)
C2—Ce1—Cg1—C3	−72.2 (4)	C16—C6—C10—Cg2	−170.8 (6)
C2—Ce1—Cg1—C4	−144.0 (4)	C17—C7—Ce1—Cg1	−48.7 (4)
C2—Ce1—Cg1—C5	143.7 (4)	C17—C7—Ce1—Cg2	−179.9 (6)
C2—Ce1—Cg2—C6	−21.1 (3)	C17—C7—C6—Cg2	177.7 (6)
C2—Ce1—Cg2—C7	−93.1 (3)	C17—C7—C8—C18	7.5 (8)
C2—Ce1—Cg2—C8	−165.6 (3)	C17—C7—C8—Cg2	−177.7 (6)
C2—Ce1—Cg2—C9	122.7 (3)	C18—C8—Ce1—Cg1	−110.0 (4)
C2—Ce1—Cg2—C10	50.4 (3)	C18—C8—Ce1—Cg2	178.6 (6)
C2—C1—Ce1—C3	36.3 (3)	C18—C8—C7—Cg2	−174.8 (6)
C2—C1—Ce1—C4	76.0 (4)	C18—C8—C9—C19	−1.2 (8)
C2—C1—Ce1—C5	113.5 (5)	C18—C8—C9—Cg2	175.0 (6)
C2—C1—Ce1—C6	−106.6 (3)	C19—C9—Ce1—Cg1	115.4 (4)
C2—C1—Ce1—C7	−134.4 (3)	C19—C9—Ce1—Cg2	179.8 (6)
C2—C1—Ce1—C8	−135.7 (3)	C19—C9—C8—Cg2	−176.2 (6)
C2—C1—Ce1—C9	−95.7 (4)	C19—C9—C10—C20	11.2 (8)
C2—C1—Ce1—Cg1	56.2 (3)	C19—C9—C10—Cg2	176.2 (6)
C2—C1—Ce1—Cg2	−111.1 (3)	C20—C10—C6—Cg2	164.8 (6)
C2—C1—C5—C4	−0.8 (6)	C20—C10—C9—Cg2	−165.0 (6)
C2—C1—C5—C15	170.9 (5)	C21—N1—Ce1—Cg1	−68.5 (4)
C2—C1—C5—Cg1	−0.3 (3)	C21—N1—Ce1—Cg2	71.5 (4)
C2—C1—Cg1—C3	−0.2 (7)	C21—N1—C25—C24	1.6 (8)
C2—C1—Cg1—C4	−179.4 (6)	C21—N1—C25—C26	−176.9 (5)
C2—C1—Cg1—C5	179.7 (4)	C21—C22—C23—C24	1.7 (9)
C2—C3—Ce1—C4	−113.2 (5)	C22—C21—N1—C25	−1.3 (8)
C2—C3—Ce1—C5	−75.6 (4)	C22—C23—C24—C25	−1.5 (9)
C2—C3—Ce1—C6	12.2 (4)	C23—C24—C25—C26	178.2 (5)
C2—C3—Ce1—C7	−19.0 (5)	C24—C25—C26—C27	−6.8 (8)
C2—C3—Ce1—C9	77.9 (4)	C25—N1—Ce1—Cg1	105.0 (4)
C2—C3—Ce1—Cg1	−55.8 (3)	C25—N1—Ce1—Cg2	−115.0 (4)
C2—C3—Ce1—Cg2	31.2 (5)	C25—C26—N2—C30	178.6 (5)
C2—C3—C4—C5	−0.6 (6)	C25—C26—C27—C28	−178.1 (5)
C2—C3—C4—C14	−177.5 (5)	C26—N2—Ce1—Cg1	−84.9 (4)
C2—C3—C4—Cg1	−0.2 (3)	C26—N2—Ce1—Cg2	84.2 (4)
C2—C3—Cg1—C4	179.7 (4)	C26—N2—C30—C29	0.4 (9)
C2—C3—Cg1—C5	−179.5 (6)	C26—C27—C28—C29	−1.5 (9)
C2—Cg1—Ce1—C3	72.2 (4)	C27—C26—N2—C30	−1.2 (8)
C2—Cg1—Ce1—C4	144.0 (4)	C27—C28—C29—C30	0.8 (9)
C2—Cg1—Ce1—C5	−143.7 (4)	C30—N2—Ce1—Cg1	100.1 (4)
C2—Cg1—Ce1—C6	−52.9 (3)	C30—N2—Ce1—Cg2	−90.8 (4)
C2—Cg1—Ce1—C7	−84.5 (3)	Cg1—Ce1—C6—Cg2	−178.3 (2)
C2—Cg1—Ce1—C8	−93.3 (4)	Cg1—Ce1—C7—Cg2	131.2 (2)
C2—Cg1—Ce1—C9	−18.4 (4)	Cg1—Ce1—C8—Cg2	71.5 (4)
C2—Cg1—Ce1—Cg2	−54.0 (3)	Cg1—Ce1—C9—Cg2	−64.4 (4)
C2—Cg1—C1—C5	−179.7 (4)	Cg1—C1—Ce1—Cg2	−167.3 (2)
C2—Cg1—C1—C11	−98 (3)	Cg1—C2—Ce1—Cg2	141.5 (2)
C2—Cg1—C3—C4	−179.7 (4)	Cg1—C3—Ce1—Cg2	87.0 (3)
C2—Cg1—C3—C13	109 (5)	Cg1—C4—Ce1—Cg2	−40.7 (6)
C2—Cg1—C4—C3	0.5 (7)	Cg1—C5—Ce1—Cg2	−116.6 (2)
C2—Cg1—C4—C5	−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.