(Ethanol-O)­tris­(nitrato-O,O')­bis­(triphenyl­phosphine oxide-O)­cerium(III)

The title compound, [Ce(NO₃)₃(C₂H₆O)(C₁₈H₁₅OP)₂], contains discrete mol­ecules with nine-coordinate Ce atoms having all nitrate groups bonded as symmetrical bidentate ligands [Ce-O(P) 2.369 (2) and 2.385 (2), Ce-O(N) 2.549 (3)-2.596 (3) and Ce-O(Et) 2.515 (3) Å].

Computing details

Data collection: MSC/AFC7S Diffractometer Control Software (Molecular Structure Corporation, 1988); cell refinement: MSC/AFC7S Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation, 1997); program(s) used to solve structure: SHELXS86 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976).

Tris(nitrato-O,O')bis(triphenylphosphineoxide-O)(ethanol-O)-cerium(III)

Crystal data

[Ce(NO3)3(C2H6O)(C18H15OP)2]	F(000) = 1876
Mr = 928.76	Dx = 1.528 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 17.202 (2) Å	Cell parameters from 25 reflections
b = 10.9235 (18) Å	θ = 11.8–15.6°
c = 22.3209 (16) Å	µ = 1.27 mm^−1
β = 105.667 (7)°	T = 298 K
V = 4038.4 (9) Å^3	Plate, colourless
Z = 4	0.50 × 0.40 × 0.15 mm

Data collection

Rigaku AFC7S diffractometer	5317 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.058
Graphite monochromator	θmax = 25.0°, θmin = 2.1°
ω/2θ scans	h = 0→20
Absorption correction: empirical (using intensity measurements) ψ scan. (North et al., 1968)	k = 0→12
Tmin = 0.587, Tmax = 0.826	l = −26→25
7353 measured reflections	3 standard reflections every 150 reflections
7102 independent reflections	intensity decay: none

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.031	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.091	Only H-atom displacement parameters refined
S = 1.03	w = 1/[σ^2(Fo^2) + (0.050P)^2] where P = (Fo^2 + 2Fc^2)/3
7102 reflections	(Δ/σ)max = 0.006
504 parameters	Δρmax = 0.44 e Å^−3
4 restraints	Δρmin = −0.85 e Å^−3

Special details

Experimental. Preparation of [Ce(Ph₃PO)₂(EtOH)(NO₃)₃]. A boiling ethanol solution (20 cm³) of cerium(III) nitrate hexahydrate (0.43 g, 1.0 mmol) was added to a boiling solution of Ph₃PO (0.56 g, 2.0 mmol) in ethanol (20 cm³) and the mixture boiled for 10 min. On cooling to room temperature, white crystals separated which were filtered off after 24 h. Yield 0.55 g, 60%. (Found: C, 49.0; H, 3.4; N, 4.45. Calc. for C₃₈H₃₆CeN₃O₁₂P₂: C, 49.1; H, 3.7; N, 4.5%). IR (cm^-1) (Nujol mull) 3330(br), 1301, 1157 (PO), 1145 (PO), 1120, 1087, 1027, 816, 691, 540. ³¹P{¹H} NMR (300 K, CH₂Cl₂) δ 72.0. ¹H NMR (300 K, CDCl₃) 1.35(t), 3.7(q), 7.35–7.7(m), 8.9.

Crystal glued to glass fibre for X-ray examination.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement on F² for ALL reflections except for 0 with very negative F² or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The observed criterion of F² > σ(F²) is used only for calculating R_factor_obs etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

The ethyl group originally had a very short C—C distance with elongated anisotropic adps and was later modelled as two disordered sites for both C atoms with restraints used on the O—C and C—C distances.

All but two phenyl H atoms were located in the electron density maps. Hydrogen atoms were included in the model in calculated positions with a common refined adp. No H of the OH group was included.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ce1	0.935986 (11)	0.845034 (17)	0.122261 (9)	0.03401 (8)
P1	0.98415 (6)	1.09819 (9)	0.24675 (4)	0.0402 (2)
P2	0.74181 (6)	1.01207 (9)	0.03350 (4)	0.0403 (2)
O1	0.96965 (16)	0.9874 (2)	0.20534 (12)	0.0494 (7)
O2	0.82402 (15)	0.9676 (2)	0.06868 (12)	0.0486 (6)
O3	1.1312 (2)	1.0384 (3)	0.08543 (18)	0.0833 (11)
O4	1.08556 (17)	0.8855 (3)	0.12796 (15)	0.0591 (8)
O5	1.00307 (17)	1.0194 (3)	0.07483 (13)	0.0557 (7)
O6	0.7300 (2)	0.6832 (4)	0.15403 (18)	0.0848 (11)
O7	0.81930 (18)	0.6931 (3)	0.10229 (14)	0.0564 (7)
O8	0.83481 (19)	0.8009 (3)	0.18607 (14)	0.0644 (8)
O9	1.0696 (2)	0.5352 (3)	0.20339 (17)	0.0829 (11)
O10	1.0130 (2)	0.7093 (3)	0.21247 (13)	0.0712 (9)
O11	1.0044 (2)	0.6359 (3)	0.12186 (14)	0.0615 (8)
O12	0.9226 (2)	0.7860 (3)	0.01102 (13)	0.0636 (8)
N1	1.0746 (2)	0.9828 (3)	0.09604 (16)	0.0536 (9)
N2	0.7927 (2)	0.7247 (3)	0.14777 (16)	0.0518 (8)
N3	1.0298 (2)	0.6236 (3)	0.17991 (18)	0.0539 (9)
C1	1.0874 (2)	1.1462 (3)	0.26268 (18)	0.0442 (9)
C2	1.1107 (3)	1.2674 (4)	0.2757 (2)	0.0556 (11)
H2	1.0720	1.3271	0.2753	0.088 (3)*
C3	1.1918 (3)	1.2991 (5)	0.2893 (2)	0.0680 (13)
H3	1.2074	1.3800	0.2983	0.088 (3)*
C4	1.2484 (3)	1.2125 (6)	0.2895 (2)	0.0810 (16)
H4	1.3024	1.2350	0.2979	0.088 (3)*
C5	1.2268 (3)	1.0907 (5)	0.2774 (3)	0.0789 (15)
H5	1.2661	1.0316	0.2784	0.088 (3)*
C6	1.1459 (3)	1.0582 (4)	0.2637 (2)	0.0608 (12)
H6	1.1309	0.9770	0.2552	0.088 (3)*
C7	0.9631 (2)	1.0616 (4)	0.31972 (16)	0.0441 (9)
C8	0.9300 (3)	0.9493 (4)	0.3270 (2)	0.0589 (11)
H8	0.9208	0.8919	0.2950	0.088 (3)*
C9	0.9105 (3)	0.9221 (5)	0.3814 (2)	0.0731 (14)
H9	0.8878	0.8466	0.3862	0.088 (3)*
C10	0.9245 (3)	1.0054 (6)	0.4282 (2)	0.0750 (15)
H10	0.9110	0.9868	0.4648	0.088 (3)*
C11	0.9583 (3)	1.1170 (6)	0.4222 (2)	0.0717 (14)
H11	0.9676	1.1732	0.4546	0.088 (3)*
C12	0.9783 (3)	1.1458 (4)	0.3680 (2)	0.0599 (11)
H12	1.0019	1.2209	0.3639	0.088 (3)*
C13	0.9208 (2)	1.2232 (4)	0.21345 (18)	0.0474 (9)
C14	0.9308 (3)	1.2779 (5)	0.1594 (2)	0.0703 (13)
H14	0.9727	1.2525	0.1433	0.088 (3)*
C15	0.8796 (4)	1.3688 (5)	0.1299 (3)	0.0824 (16)
H15	0.8874	1.4057	0.0945	0.088 (3)*
C16	0.8168 (3)	1.4052 (5)	0.1527 (3)	0.0776 (15)
H16	0.7816	1.4657	0.1321	0.088 (3)*
C17	0.8055 (3)	1.3534 (5)	0.2054 (3)	0.0790 (16)
H17	0.7629	1.3788	0.2206	0.088 (3)*
C18	0.8576 (3)	1.2630 (4)	0.2361 (2)	0.0592 (11)
H18	0.8501	1.2286	0.2723	0.088 (3)*
C19	0.6766 (2)	1.0275 (4)	0.08375 (17)	0.0459 (9)
C20	0.5950 (3)	1.0049 (6)	0.0655 (2)	0.0760 (16)
H20	0.5712	0.9753	0.0257	0.088 (3)*
C21	0.5480 (3)	1.0256 (6)	0.1060 (2)	0.0914 (19)
H21	0.4928	1.0099	0.0929	0.088 (3)*
C22	0.5812 (3)	1.0685 (5)	0.1644 (2)	0.0769 (15)
H22	0.5490	1.0841	0.1910	0.088 (3)*
C23	0.6629 (4)	1.0886 (5)	0.1836 (2)	0.0809 (15)
H23	0.6866	1.1159	0.2239	0.088 (3)*
C24	0.7106 (3)	1.0685 (5)	0.1433 (2)	0.0661 (13)
H24	0.7658	1.0829	0.1567	0.088 (3)*
C25	0.6929 (2)	0.9129 (4)	−0.02940 (17)	0.0429 (9)
C26	0.6693 (3)	0.7952 (4)	−0.0162 (2)	0.0611 (11)
H26	0.6784	0.7693	0.0248	0.088 (3)*
C27	0.6322 (3)	0.7178 (5)	−0.0647 (3)	0.0774 (14)
H27	0.6146	0.6409	−0.0562	0.088 (3)*
C28	0.6213 (3)	0.7543 (5)	−0.1254 (2)	0.0769 (15)
H28	0.5973	0.7012	−0.1577	0.088 (3)*
C29	0.6455 (3)	0.8678 (5)	−0.1387 (2)	0.0714 (14)
H29	0.6379	0.8919	−0.1799	0.088 (3)*
C30	0.6811 (3)	0.9460 (4)	−0.09110 (19)	0.0572 (11)
H30	0.6976	1.0231	−0.1005	0.088 (3)*
C31	0.7487 (2)	1.1606 (3)	0.00056 (18)	0.0440 (9)
C32	0.6832 (3)	1.2368 (4)	−0.0170 (2)	0.0646 (12)
H32	0.6343	1.2139	−0.0100	0.088 (3)*
C33	0.6898 (3)	1.3478 (4)	−0.0449 (3)	0.0756 (15)
H33	0.6450	1.3991	−0.0565	0.088 (3)*
C34	0.7606 (4)	1.3833 (5)	−0.0558 (2)	0.0745 (14)
H34	0.7643	1.4581	−0.0748	0.088 (3)*
C35	0.8271 (3)	1.3066 (5)	−0.0383 (3)	0.0770 (15)
H35	0.8756	1.3297	−0.0459	0.088 (3)*
C36	0.8217 (3)	1.1958 (4)	−0.0096 (2)	0.0591 (11)
H36	0.8667	1.1452	0.0028	0.088 (3)*
C37A	0.9266 (9)	0.6708 (11)	−0.0189 (6)	0.102 (4)*	0.50
H37A	0.9097	0.6065	0.0048	0.088 (3)*	0.50
H37B	0.9822	0.6549	−0.0184	0.088 (3)*	0.50
C38A	0.8749 (8)	0.6647 (12)	−0.0854 (6)	0.097 (4)*	0.50
H38A	0.8678	0.5808	−0.0985	0.088 (3)*	0.50
H38B	0.9009	0.7087	−0.1118	0.088 (3)*	0.50
H38C	0.8232	0.7009	−0.0881	0.088 (3)*	0.50
C37B	0.8814 (6)	0.6772 (7)	−0.0212 (4)	0.052 (2)*	0.50
H37C	0.8253	0.6961	−0.0413	0.088 (3)*	0.50
H37D	0.8831	0.6116	0.0084	0.088 (3)*	0.50
C38B	0.9236 (8)	0.6383 (11)	−0.0688 (6)	0.083 (3)*	0.50
H38D	0.8956	0.5701	−0.0921	0.088 (3)*	0.50
H38E	0.9781	0.6148	−0.0483	0.088 (3)*	0.50
H38F	0.9242	0.7052	−0.0966	0.088 (3)*	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ce1	0.03297 (12)	0.03499 (12)	0.03387 (12)	0.00191 (9)	0.00869 (8)	0.00204 (9)
P1	0.0409 (5)	0.0418 (5)	0.0387 (5)	−0.0030 (4)	0.0124 (4)	−0.0039 (4)
P2	0.0315 (5)	0.0451 (5)	0.0413 (5)	0.0034 (4)	0.0046 (4)	0.0008 (4)
O1	0.0530 (16)	0.0490 (15)	0.0467 (15)	−0.0081 (13)	0.0144 (13)	−0.0110 (12)
O2	0.0348 (14)	0.0511 (15)	0.0532 (16)	0.0042 (12)	0.0004 (12)	0.0014 (13)
O3	0.064 (2)	0.081 (2)	0.118 (3)	−0.0157 (18)	0.049 (2)	0.016 (2)
O4	0.0447 (16)	0.0588 (18)	0.078 (2)	0.0067 (14)	0.0233 (15)	0.0107 (16)
O5	0.0461 (17)	0.0575 (17)	0.0615 (18)	0.0020 (14)	0.0111 (14)	0.0177 (14)
O6	0.056 (2)	0.105 (3)	0.104 (3)	−0.028 (2)	0.039 (2)	−0.010 (2)
O7	0.0630 (19)	0.0517 (16)	0.0591 (18)	−0.0137 (14)	0.0243 (15)	−0.0038 (14)
O8	0.063 (2)	0.082 (2)	0.0524 (17)	−0.0212 (17)	0.0236 (15)	−0.0099 (16)
O9	0.089 (3)	0.0559 (19)	0.088 (2)	0.0272 (19)	−0.003 (2)	0.0185 (18)
O10	0.097 (3)	0.066 (2)	0.0470 (17)	0.0309 (19)	0.0129 (17)	0.0098 (16)
O11	0.074 (2)	0.0517 (18)	0.0547 (18)	0.0156 (15)	0.0102 (16)	0.0005 (14)
O12	0.095 (2)	0.0515 (17)	0.0433 (16)	0.0010 (16)	0.0159 (16)	−0.0053 (14)
N1	0.059 (2)	0.052 (2)	0.058 (2)	−0.0063 (18)	0.0296 (19)	−0.0009 (17)
N2	0.045 (2)	0.055 (2)	0.057 (2)	−0.0013 (17)	0.0177 (17)	0.0090 (18)
N3	0.049 (2)	0.047 (2)	0.062 (2)	0.0069 (16)	0.0084 (18)	0.0108 (17)
C1	0.041 (2)	0.051 (2)	0.042 (2)	−0.0053 (17)	0.0118 (17)	−0.0065 (17)
C2	0.056 (3)	0.049 (2)	0.063 (3)	−0.011 (2)	0.018 (2)	−0.004 (2)
C3	0.071 (3)	0.060 (3)	0.075 (3)	−0.020 (3)	0.024 (3)	−0.011 (3)
C4	0.048 (3)	0.111 (4)	0.085 (4)	−0.024 (3)	0.019 (3)	−0.026 (3)
C5	0.046 (3)	0.093 (4)	0.097 (4)	0.005 (3)	0.018 (3)	−0.029 (3)
C6	0.048 (2)	0.064 (3)	0.067 (3)	0.006 (2)	0.010 (2)	−0.016 (2)
C7	0.039 (2)	0.057 (2)	0.0354 (19)	0.0033 (17)	0.0083 (16)	0.0000 (17)
C8	0.062 (3)	0.060 (3)	0.055 (3)	−0.005 (2)	0.016 (2)	0.004 (2)
C9	0.072 (3)	0.091 (4)	0.058 (3)	−0.011 (3)	0.020 (3)	0.015 (3)
C10	0.057 (3)	0.120 (5)	0.048 (3)	0.004 (3)	0.015 (2)	0.020 (3)
C11	0.062 (3)	0.111 (4)	0.041 (2)	−0.001 (3)	0.012 (2)	−0.011 (3)
C12	0.058 (3)	0.073 (3)	0.047 (2)	−0.008 (2)	0.013 (2)	−0.004 (2)
C13	0.049 (2)	0.042 (2)	0.048 (2)	−0.0021 (18)	0.0083 (18)	−0.0034 (18)
C14	0.075 (3)	0.079 (3)	0.062 (3)	0.017 (3)	0.026 (3)	0.020 (3)
C15	0.090 (4)	0.082 (4)	0.071 (3)	0.003 (3)	0.014 (3)	0.027 (3)
C16	0.075 (4)	0.048 (3)	0.095 (4)	0.008 (3)	−0.003 (3)	0.000 (3)
C17	0.061 (3)	0.069 (3)	0.103 (4)	0.017 (3)	0.015 (3)	−0.005 (3)
C18	0.051 (3)	0.061 (3)	0.067 (3)	0.009 (2)	0.018 (2)	−0.003 (2)
C19	0.042 (2)	0.052 (2)	0.041 (2)	0.0069 (18)	0.0062 (17)	0.0013 (18)
C20	0.039 (2)	0.136 (5)	0.051 (3)	−0.003 (3)	0.009 (2)	−0.018 (3)
C21	0.048 (3)	0.165 (6)	0.066 (3)	0.004 (3)	0.023 (3)	−0.006 (4)
C22	0.074 (3)	0.109 (4)	0.057 (3)	0.021 (3)	0.034 (3)	0.005 (3)
C23	0.090 (4)	0.101 (4)	0.052 (3)	0.009 (3)	0.018 (3)	−0.017 (3)
C24	0.061 (3)	0.083 (3)	0.050 (3)	−0.001 (2)	0.007 (2)	−0.014 (2)
C25	0.0312 (19)	0.053 (2)	0.042 (2)	0.0010 (17)	0.0055 (16)	−0.0070 (18)
C26	0.066 (3)	0.054 (2)	0.058 (3)	−0.003 (2)	0.006 (2)	0.000 (2)
C27	0.086 (4)	0.054 (3)	0.086 (4)	−0.013 (3)	0.013 (3)	−0.005 (3)
C28	0.073 (3)	0.087 (4)	0.072 (3)	−0.016 (3)	0.023 (3)	−0.033 (3)
C29	0.072 (3)	0.097 (4)	0.048 (3)	−0.023 (3)	0.021 (2)	−0.017 (3)
C30	0.054 (3)	0.073 (3)	0.048 (2)	−0.015 (2)	0.019 (2)	−0.007 (2)
C31	0.043 (2)	0.043 (2)	0.045 (2)	0.0017 (17)	0.0096 (17)	−0.0044 (17)
C32	0.062 (3)	0.056 (3)	0.076 (3)	0.010 (2)	0.019 (2)	0.013 (2)
C33	0.075 (4)	0.055 (3)	0.091 (4)	0.019 (3)	0.014 (3)	0.013 (3)
C34	0.091 (4)	0.052 (3)	0.077 (3)	−0.004 (3)	0.014 (3)	0.012 (2)
C35	0.082 (4)	0.066 (3)	0.088 (4)	−0.020 (3)	0.031 (3)	0.010 (3)
C36	0.049 (2)	0.058 (3)	0.070 (3)	−0.003 (2)	0.015 (2)	0.001 (2)

Geometric parameters (Å, º)

Ce1—O1	2.369 (2)	C14—C15	1.372 (7)
Ce1—O2	2.385 (2)	C14—H14	0.9300
Ce1—O4	2.580 (3)	C15—C16	1.371 (8)
Ce1—O5	2.596 (3)	C15—H15	0.9300
Ce1—O7	2.549 (3)	C16—C17	1.364 (8)
Ce1—O8	2.575 (3)	C16—H16	0.9300
Ce1—O10	2.563 (3)	C17—C18	1.384 (7)
Ce1—O11	2.572 (3)	C17—H17	0.9300
Ce1—O12	2.515 (3)	C18—H18	0.9300
Ce1—N2	2.980 (3)	C19—C24	1.374 (6)
Ce1—N3	2.998 (3)	C19—C20	1.375 (6)
Ce1—N1	3.008 (3)	C20—C21	1.384 (6)
P1—O1	1.502 (3)	C20—H20	0.9300
P1—C13	1.779 (4)	C21—C22	1.359 (7)
P1—C1	1.793 (4)	C21—H21	0.9300
P1—C7	1.806 (4)	C22—C23	1.372 (7)
P2—O2	1.501 (3)	C22—H22	0.9300
P2—C25	1.793 (4)	C23—C24	1.389 (7)
P2—C19	1.795 (4)	C23—H23	0.9300
P2—C31	1.799 (4)	C24—H24	0.9300
O3—N1	1.224 (4)	C25—C30	1.385 (5)
O4—N1	1.265 (4)	C25—C26	1.405 (6)
O5—N1	1.259 (4)	C26—C27	1.386 (6)
O6—N2	1.213 (4)	C26—H26	0.9300
O7—N2	1.268 (4)	C27—C28	1.376 (7)
O8—N2	1.270 (4)	C27—H27	0.9300
O9—N3	1.217 (4)	C28—C29	1.365 (7)
O10—N3	1.265 (4)	C28—H28	0.9300
O11—N3	1.258 (4)	C29—C30	1.373 (6)
O12—C37A	1.436 (11)	C29—H29	0.9300
O12—C37B	1.469 (8)	C30—H30	0.9300
C1—C6	1.388 (6)	C31—C32	1.369 (6)
C1—C2	1.390 (5)	C31—C36	1.390 (6)
C2—C3	1.390 (6)	C32—C33	1.383 (6)
C2—H2	0.9300	C32—H32	0.9300
C3—C4	1.356 (7)	C33—C34	1.361 (7)
C3—H3	0.9300	C33—H33	0.9300
C4—C5	1.388 (8)	C34—C35	1.387 (8)
C4—H4	0.9300	C34—H34	0.9300
C5—C6	1.388 (6)	C35—C36	1.384 (6)
C5—H5	0.9300	C35—H35	0.9300
C6—H6	0.9300	C36—H36	0.9300
C7—C8	1.380 (6)	C37A—C38A	1.511 (14)
C7—C12	1.386 (6)	C37A—H37A	0.9700
C8—C9	1.378 (6)	C37A—H37B	0.9700
C8—H8	0.9300	C38A—H38A	0.9600
C9—C10	1.357 (7)	C38A—H38B	0.9600
C9—H9	0.9300	C38A—H38C	0.9600
C10—C11	1.372 (7)	C37B—C38B	1.501 (12)
C10—H10	0.9300	C37B—H37C	0.9700
C11—C12	1.382 (6)	C37B—H37D	0.9700
C11—H11	0.9300	C38B—H38D	0.9600
C12—H12	0.9300	C38B—H38E	0.9600
C13—C18	1.388 (5)	C38B—H38F	0.9600
C13—C14	1.398 (6)
O1—Ce1—O2	91.00 (9)	C6—C5—H5	120.4
O1—Ce1—O12	151.50 (10)	C4—C5—H5	120.4
O2—Ce1—O12	78.62 (10)	C5—C6—C1	120.4 (4)
O1—Ce1—O7	125.36 (9)	C5—C6—H6	119.8
O2—Ce1—O7	77.69 (10)	C1—C6—H6	119.8
O12—Ce1—O7	78.63 (10)	C8—C7—C12	119.8 (4)
O1—Ce1—O10	78.44 (10)	C8—C7—P1	119.5 (3)
O2—Ce1—O10	153.49 (10)	C12—C7—P1	120.7 (3)
O12—Ce1—O10	121.16 (10)	C9—C8—C7	120.1 (4)
O7—Ce1—O10	88.63 (11)	C9—C8—H8	120.0
O1—Ce1—O11	124.79 (10)	C7—C8—H8	120.0
O2—Ce1—O11	143.67 (10)	C10—C9—C8	120.0 (5)
O12—Ce1—O11	71.86 (10)	C10—C9—H9	120.0
O7—Ce1—O11	76.16 (10)	C8—C9—H9	120.0
O10—Ce1—O11	49.35 (10)	C9—C10—C11	120.8 (4)
O1—Ce1—O8	75.45 (9)	C9—C10—H10	119.6
O2—Ce1—O8	78.91 (10)	C11—C10—H10	119.6
O12—Ce1—O8	127.08 (10)	C10—C11—C12	120.1 (5)
O7—Ce1—O8	49.97 (9)	C10—C11—H11	120.0
O10—Ce1—O8	74.93 (11)	C12—C11—H11	120.0
O11—Ce1—O8	102.36 (11)	C11—C12—C7	119.3 (5)
O1—Ce1—O4	79.59 (10)	C11—C12—H12	120.4
O2—Ce1—O4	126.02 (9)	C7—C12—H12	120.4
O12—Ce1—O4	85.22 (10)	C18—C13—C14	118.2 (4)
O7—Ce1—O4	147.99 (10)	C18—C13—P1	122.7 (3)
O10—Ce1—O4	76.32 (11)	C14—C13—P1	119.0 (3)
O11—Ce1—O4	72.59 (10)	C15—C14—C13	120.7 (5)
O8—Ce1—O4	144.99 (10)	C15—C14—H14	119.7
O1—Ce1—O5	78.23 (9)	C13—C14—H14	119.7
O2—Ce1—O5	76.78 (9)	C16—C15—C14	120.0 (5)
O12—Ce1—O5	73.59 (10)	C16—C15—H15	120.0
O7—Ce1—O5	145.28 (9)	C14—C15—H15	120.0
O10—Ce1—O5	123.55 (11)	C17—C16—C15	120.6 (5)
O11—Ce1—O5	113.32 (10)	C17—C16—H16	119.7
O8—Ce1—O5	143.55 (10)	C15—C16—H16	119.7
O4—Ce1—O5	49.24 (9)	C16—C17—C18	120.0 (5)
O1—Ce1—N2	100.36 (9)	C16—C17—H17	120.0
O2—Ce1—N2	75.29 (9)	C18—C17—H17	120.0
O12—Ce1—N2	102.46 (10)	C17—C18—C13	120.5 (5)
O7—Ce1—N2	25.00 (9)	C17—C18—H18	119.7
O10—Ce1—N2	82.72 (11)	C13—C18—H18	119.7
O11—Ce1—N2	90.68 (10)	C24—C19—C20	118.5 (4)
O8—Ce1—N2	25.09 (9)	C24—C19—P2	117.5 (3)
O4—Ce1—N2	158.64 (9)	C20—C19—P2	123.9 (3)
O5—Ce1—N2	152.01 (9)	C19—C20—C21	120.5 (4)
O1—Ce1—N3	101.78 (10)	C19—C20—H20	119.7
O2—Ce1—N3	159.45 (9)	C21—C20—H20	119.7
O12—Ce1—N3	96.44 (10)	C22—C21—C20	120.9 (5)
O7—Ce1—N3	81.78 (10)	C22—C21—H21	119.5
O10—Ce1—N3	24.75 (9)	C20—C21—H21	119.5
O11—Ce1—N3	24.61 (9)	C21—C22—C23	119.0 (4)
O8—Ce1—N3	88.70 (11)	C21—C22—H22	120.5
O4—Ce1—N3	72.72 (9)	C23—C22—H22	120.5
O5—Ce1—N3	121.32 (9)	C22—C23—C24	120.4 (5)
N2—Ce1—N3	86.52 (9)	C22—C23—H23	119.8
O1—Ce1—N1	77.58 (9)	C24—C23—H23	119.8
O2—Ce1—N1	101.35 (10)	C19—C24—C23	120.5 (5)
O12—Ce1—N1	78.58 (10)	C19—C24—H24	119.7
O7—Ce1—N1	156.90 (9)	C23—C24—H24	119.7
O10—Ce1—N1	100.00 (11)	C30—C25—C26	118.4 (4)
O11—Ce1—N1	93.20 (10)	C30—C25—P2	122.2 (3)
O8—Ce1—N1	153.03 (10)	C26—C25—P2	119.3 (3)
O4—Ce1—N1	24.67 (9)	C27—C26—C25	119.5 (4)
O5—Ce1—N1	24.57 (9)	C27—C26—H26	120.3
N2—Ce1—N1	176.11 (9)	C25—C26—H26	120.3
N3—Ce1—N1	97.12 (10)	C28—C27—C26	120.3 (5)
O1—P1—C13	112.32 (17)	C28—C27—H27	119.8
O1—P1—C1	110.42 (16)	C26—C27—H27	119.8
C13—P1—C1	108.68 (18)	C29—C28—C27	120.6 (5)
O1—P1—C7	109.63 (17)	C29—C28—H28	119.7
C13—P1—C7	107.30 (18)	C27—C28—H28	119.7
C1—P1—C7	108.37 (18)	C28—C29—C30	119.7 (5)
O2—P2—C25	113.00 (16)	C28—C29—H29	120.1
O2—P2—C19	111.27 (16)	C30—C29—H29	120.1
C25—P2—C19	107.84 (18)	C29—C30—C25	121.5 (4)
O2—P2—C31	110.44 (17)	C29—C30—H30	119.2
C25—P2—C31	107.07 (18)	C25—C30—H30	119.2
C19—P2—C31	106.95 (18)	C32—C31—C36	119.7 (4)
P1—O1—Ce1	167.25 (17)	C32—C31—P2	121.7 (3)
P2—O2—Ce1	164.39 (17)	C36—C31—P2	118.5 (3)
N1—O4—Ce1	97.0 (2)	C31—C32—C33	120.1 (5)
N1—O5—Ce1	96.4 (2)	C31—C32—H32	120.0
N2—O7—Ce1	96.9 (2)	C33—C32—H32	120.0
N2—O8—Ce1	95.6 (2)	C34—C33—C32	121.1 (5)
N3—O10—Ce1	97.3 (2)	C34—C33—H33	119.5
N3—O11—Ce1	97.0 (2)	C32—C33—H33	119.5
C37A—O12—C37B	30.6 (6)	C33—C34—C35	119.2 (5)
C37A—O12—Ce1	132.9 (6)	C33—C34—H34	120.4
C37B—O12—Ce1	126.5 (4)	C35—C34—H34	120.4
O3—N1—O5	121.2 (4)	C36—C35—C34	120.4 (5)
O3—N1—O4	121.4 (4)	C36—C35—H35	119.8
O5—N1—O4	117.4 (3)	C34—C35—H35	119.8
O3—N1—Ce1	179.8 (3)	C35—C36—C31	119.6 (4)
O5—N1—Ce1	59.05 (18)	C35—C36—H36	120.2
O4—N1—Ce1	58.34 (18)	C31—C36—H36	120.2
O6—N2—O7	121.0 (4)	O12—C37A—C38A	114.0 (10)
O6—N2—O8	122.0 (4)	O12—C37A—H37A	108.8
O7—N2—O8	117.0 (3)	C38A—C37A—H37A	108.8
O6—N2—Ce1	173.8 (3)	O12—C37A—H37B	108.8
O7—N2—Ce1	58.13 (18)	C38A—C37A—H37B	108.8
O8—N2—Ce1	59.30 (18)	H37A—C37A—H37B	107.7
O9—N3—O11	121.7 (4)	C37A—C38A—H38A	109.5
O9—N3—O10	121.9 (4)	C37A—C38A—H38B	109.5
O11—N3—O10	116.3 (3)	H38A—C38A—H38B	109.5
O9—N3—Ce1	178.5 (3)	C37A—C38A—H38C	109.5
O11—N3—Ce1	58.35 (18)	H38A—C38A—H38C	109.5
O10—N3—Ce1	57.98 (18)	H38B—C38A—H38C	109.5
C6—C1—C2	119.3 (4)	O12—C37B—C38B	108.3 (8)
C6—C1—P1	118.4 (3)	O12—C37B—H37C	110.0
C2—C1—P1	122.3 (3)	C38B—C37B—H37C	110.0
C3—C2—C1	119.9 (4)	O12—C37B—H37D	110.0
C3—C2—H2	120.1	C38B—C37B—H37D	110.0
C1—C2—H2	120.1	H37C—C37B—H37D	108.4
C4—C3—C2	120.3 (5)	C37B—C38B—H38D	109.5
C4—C3—H3	119.8	C37B—C38B—H38E	109.5
C2—C3—H3	119.8	H38D—C38B—H38E	109.5
C3—C4—C5	120.9 (5)	C37B—C38B—H38F	109.5
C3—C4—H4	119.6	H38D—C38B—H38F	109.5
C5—C4—H4	119.6	H38E—C38B—H38F	109.5
C6—C5—C4	119.2 (5)