Bis[6,6′-dimeth­oxy-2,2′-(ethane-1,2-diyldiimino­dimethyl­ene)diphenolato-κ²N,N′,O,O′]cerium(IV)

In the title compound, [Ce(C₁₈H₂₂N₂O₄)₂], the Ce atoms are eight-coordinate and there are three independent mol­ecules in the asymmetric unit. Two tetra­dentate N,N′-(2-hydr­oxy-3-methoxy­benz­yl)ethane-1,2-diamine ligands are coordinated to each Ce^IV atom. The mol­ecules are linked into a chain by three C—H...O hydrogen bonds. Neighbouring chains are connected by van der Waals forces, resulting in a three-dimensional network.

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean [sigma](C-C) = 0.009 Å
• Disorder in main residue
• R factor = 0.041
• wR factor = 0.090
• Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.97
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.17 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.16 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.30 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C86
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C107
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        O22
PLAT301_ALERT_3_C Main Residue  Disorder .........................       1.00 Perc.
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9
PLAT480_ALERT_4_C Long H...A H-Bond Reported H55A   ..  O6      ..       2.69 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          8
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      34.60 Deg.
              C06B -O24  -C06A    1.555   1.555   1.555

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

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

---

Computing details

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

Bis[6,6'-dimethoxy-2,2'-(ethane-1,2-diyldiiminodimethylene)diphenol- κ²N,N',O,O']cerium(IV)

Crystal data

[Ce(C18H22N2O4)2]	F(000) = 4920
Mr = 800.87	Dx = 1.478 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 9983 reflections
a = 23.166 (3) Å	θ = 2.3–25.4°
b = 17.803 (2) Å	µ = 1.32 mm^−1
c = 27.883 (4) Å	T = 298 K
β = 110.116 (3)°	Block, dark red
V = 10798 (2) Å^3	0.39 × 0.35 × 0.32 mm
Z = 12

Data collection

Bruker SMART 1000 CCD area-detector diffractometer	18893 independent reflections
Radiation source: fine-focus sealed tube	9384 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.087
φ and ω scans	θmax = 25.0°, θmin = 1.4°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −27→25
Tmin = 0.627, Tmax = 0.677	k = −21→15
53789 measured reflections	l = −32→33

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full with fixed elements per cycle	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.041	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.090	H-atom parameters constrained
S = 0.94	w = 1/[σ^2(Fo^2) + (0.0235P)^2] where P = (Fo^2 + 2Fc^2)/3
18893 reflections	(Δ/σ)max = 0.002
1328 parameters	Δρmax = 1.40 e Å^−3
48 restraints	Δρmin = −1.02 e Å^−3

Special details

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

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ce1	0.166408 (15)	0.612497 (18)	0.244681 (12)	0.03286 (10)
Ce2	0.500039 (17)	0.363505 (16)	0.252550 (13)	0.03030 (9)
Ce3	0.813354 (14)	0.614154 (18)	0.260322 (12)	0.03200 (9)
N1	0.1374 (2)	0.7527 (2)	0.25877 (18)	0.0417 (13)
H1	0.1733	0.7738	0.2790	0.050*
N2	0.1685 (2)	0.7056 (2)	0.17293 (18)	0.0434 (14)
H2	0.1322	0.6976	0.1471	0.052*
N3	0.2334 (2)	0.5210 (2)	0.31513 (17)	0.0408 (13)
H3	0.2188	0.5262	0.3413	0.049*
N4	0.1277 (2)	0.4710 (2)	0.23386 (18)	0.0403 (13)
H4	0.1427	0.4516	0.2103	0.048*
N5	0.38637 (19)	0.4071 (2)	0.20709 (16)	0.0354 (12)
H5	0.3878	0.4371	0.1811	0.042*
N6	0.4706 (2)	0.4812 (2)	0.29591 (17)	0.0374 (13)
H6	0.4615	0.4628	0.3229	0.045*
N7	0.5790 (2)	0.3205 (2)	0.21020 (16)	0.0345 (12)
H7	0.5575	0.2898	0.1840	0.041*
N8	0.56370 (19)	0.2456 (2)	0.29685 (16)	0.0332 (12)
H8	0.5935	0.2633	0.3253	0.040*
N9	0.8906 (2)	0.5885 (2)	0.21137 (17)	0.0448 (14)
H9	0.8875	0.6298	0.1914	0.054*
N10	0.9278 (2)	0.6442 (2)	0.31416 (17)	0.0450 (14)
H10	0.9418	0.6017	0.3326	0.054*
N11	0.70239 (19)	0.6700 (2)	0.22247 (17)	0.0387 (13)
H11	0.6852	0.6448	0.1925	0.046*
N12	0.7327 (2)	0.5519 (2)	0.29500 (18)	0.0429 (14)
H12	0.7380	0.5761	0.3250	0.051*
O1	0.12561 (16)	0.61323 (19)	0.30492 (14)	0.0421 (10)
O2	0.1684 (2)	0.5513 (2)	0.39590 (16)	0.0646 (14)
O3	0.21289 (18)	0.55599 (18)	0.19766 (14)	0.0443 (11)
O4	0.1845 (2)	0.4253 (2)	0.15020 (18)	0.0673 (15)
O5	0.25199 (16)	0.67230 (18)	0.28778 (15)	0.0418 (10)
O6	0.26090 (19)	0.8047 (2)	0.33263 (17)	0.0605 (13)
O7	0.07474 (16)	0.60789 (19)	0.18667 (13)	0.0413 (10)
O8	0.0359 (2)	0.6610 (3)	0.09363 (16)	0.0732 (14)
O9	0.45368 (16)	0.27458 (18)	0.19827 (14)	0.0363 (10)
O10	0.49122 (19)	0.2211 (2)	0.12549 (15)	0.0519 (12)
O11	0.58519 (16)	0.40551 (18)	0.30995 (13)	0.0373 (10)
O12	0.66051 (18)	0.3313 (2)	0.38875 (15)	0.0499 (11)
O13	0.50270 (16)	0.45324 (17)	0.19886 (14)	0.0376 (10)
O14	0.40714 (18)	0.50746 (19)	0.12406 (15)	0.0466 (11)
O15	0.46334 (16)	0.32283 (18)	0.31131 (13)	0.0379 (10)
O16	0.45303 (18)	0.3921 (2)	0.39183 (14)	0.0526 (12)
O17	0.76534 (17)	0.54835 (18)	0.19248 (14)	0.0408 (10)
O18	0.6606 (2)	0.5816 (2)	0.12169 (16)	0.0616 (13)
O19	0.81450 (17)	0.67846 (19)	0.32756 (15)	0.0446 (11)
O20	0.7619 (2)	0.6416 (2)	0.39468 (18)	0.0743 (16)
O21	0.81996 (16)	0.71838 (18)	0.21968 (14)	0.0408 (10)
O22	0.8699 (2)	0.7370 (2)	0.14839 (18)	0.0743 (15)
O23	0.85483 (16)	0.50883 (19)	0.29937 (14)	0.0429 (11)
O24	0.9627 (2)	0.4923 (3)	0.37101 (19)	0.0821 (16)
C1	0.0944 (3)	0.7647 (3)	0.2862 (2)	0.058 (2)
H1A	0.0553	0.7414	0.2674	0.069*
H1B	0.0873	0.8182	0.2882	0.069*
C2	0.1183 (3)	0.7325 (3)	0.3397 (2)	0.0450 (17)
C3	0.1327 (2)	0.6574 (3)	0.3452 (2)	0.0401 (16)
C4	0.1546 (3)	0.6256 (4)	0.3940 (2)	0.0528 (19)
C5	0.1614 (3)	0.6712 (4)	0.4359 (3)	0.086 (3)
H5A	0.1766	0.6510	0.4687	0.104*
C6	0.1458 (4)	0.7455 (5)	0.4294 (3)	0.096 (3)
H6A	0.1497	0.7751	0.4578	0.115*
C7	0.1247 (3)	0.7769 (4)	0.3818 (3)	0.081 (3)
H7A	0.1148	0.8277	0.3778	0.097*
C8	0.1956 (4)	0.5174 (4)	0.4437 (3)	0.097 (3)
H8A	0.2344	0.5410	0.4613	0.116*
H8B	0.2020	0.4650	0.4392	0.116*
H8C	0.1691	0.5230	0.4635	0.116*
C9	0.2160 (3)	0.6916 (3)	0.1497 (2)	0.0539 (19)
H9A	0.2561	0.6898	0.1763	0.065*
H9B	0.2161	0.7325	0.1267	0.065*
C10	0.2039 (3)	0.6191 (3)	0.1209 (2)	0.0461 (16)
C11	0.2020 (3)	0.5538 (3)	0.1484 (2)	0.0394 (16)
C12	0.1862 (3)	0.4864 (3)	0.1210 (3)	0.0521 (19)
C13	0.1748 (3)	0.4839 (4)	0.0698 (3)	0.074 (2)
H13	0.1656	0.4386	0.0522	0.089*
C14	0.1772 (3)	0.5503 (4)	0.0441 (3)	0.078 (2)
H14	0.1683	0.5491	0.0090	0.093*
C15	0.1922 (3)	0.6167 (4)	0.0694 (2)	0.063 (2)
H15	0.1945	0.6603	0.0517	0.076*
C16	0.1599 (3)	0.3572 (3)	0.1258 (3)	0.096 (3)
H16A	0.1178	0.3646	0.1047	0.115*
H16B	0.1621	0.3196	0.1510	0.115*
H16C	0.1831	0.3409	0.1050	0.115*
C17	0.1187 (3)	0.7978 (3)	0.2109 (2)	0.061 (2)
H17A	0.1163	0.8506	0.2187	0.073*
H17B	0.0786	0.7817	0.1881	0.073*
C18	0.1667 (3)	0.7857 (3)	0.1861 (2)	0.061 (2)
H18A	0.1568	0.8161	0.1554	0.073*
H18B	0.2067	0.8011	0.2093	0.073*
C19	0.2984 (3)	0.5398 (3)	0.3373 (2)	0.0490 (18)
H19A	0.3158	0.5425	0.3103	0.059*
H19B	0.3195	0.5002	0.3606	0.059*
C20	0.3091 (2)	0.6136 (3)	0.3658 (2)	0.0413 (15)
C21	0.2829 (2)	0.6769 (3)	0.3376 (2)	0.0380 (16)
C22	0.2886 (3)	0.7463 (3)	0.3641 (3)	0.0466 (18)
C23	0.3201 (3)	0.7497 (4)	0.4148 (3)	0.060 (2)
H23	0.3245	0.7956	0.4316	0.072*
C24	0.3457 (3)	0.6865 (4)	0.4416 (2)	0.065 (2)
H24	0.3672	0.6899	0.4765	0.078*
C25	0.3399 (3)	0.6176 (4)	0.4174 (2)	0.0568 (18)
H25	0.3567	0.5746	0.4358	0.068*
C26	0.2557 (3)	0.8738 (3)	0.3561 (3)	0.077 (2)
H26A	0.2320	0.8664	0.3779	0.093*
H26B	0.2356	0.9100	0.3302	0.093*
H26C	0.2959	0.8916	0.3759	0.093*
C27	0.0610 (3)	0.4577 (3)	0.2118 (2)	0.0526 (19)
H27A	0.0409	0.4821	0.2329	0.063*
H27B	0.0531	0.4042	0.2119	0.063*
C28	0.0347 (3)	0.4866 (3)	0.1587 (2)	0.0488 (18)
C29	0.0441 (3)	0.5622 (3)	0.1489 (2)	0.0440 (17)
C30	0.0215 (3)	0.5873 (4)	0.0990 (3)	0.0560 (19)
C31	−0.0122 (3)	0.5411 (4)	0.0600 (3)	0.079 (2)
H31	−0.0285	0.5596	0.0269	0.095*
C32	−0.0218 (3)	0.4682 (4)	0.0699 (3)	0.085 (3)
H32	−0.0442	0.4368	0.0434	0.101*
C33	0.0012 (3)	0.4411 (4)	0.1184 (3)	0.070 (2)
H33	−0.0056	0.3911	0.1246	0.084*
C34	0.0238 (4)	0.6878 (4)	0.0433 (3)	0.120 (3)
H34A	0.0489	0.6612	0.0279	0.144*
H34B	0.0330	0.7405	0.0443	0.144*
H34C	−0.0188	0.6799	0.0236	0.144*
C35	0.2231 (3)	0.4417 (3)	0.3004 (3)	0.058 (2)
H35A	0.2426	0.4102	0.3300	0.070*
H35B	0.2415	0.4304	0.2748	0.070*
C36	0.1564 (3)	0.4249 (3)	0.2796 (2)	0.059 (2)
H36A	0.1501	0.3720	0.2710	0.071*
H36B	0.1377	0.4360	0.3051	0.071*
C37	0.3420 (3)	0.3478 (3)	0.1820 (2)	0.0463 (17)
H37A	0.3009	0.3689	0.1686	0.056*
H37B	0.3422	0.3093	0.2066	0.056*
C38	0.3586 (3)	0.3139 (3)	0.1394 (2)	0.0407 (16)
C39	0.4157 (3)	0.2797 (3)	0.1505 (2)	0.0389 (16)
C40	0.4333 (3)	0.2520 (3)	0.1105 (2)	0.0413 (16)
C41	0.3943 (3)	0.2575 (3)	0.0615 (2)	0.059 (2)
H41	0.4062	0.2390	0.0351	0.071*
C42	0.3377 (3)	0.2898 (3)	0.0505 (2)	0.063 (2)
H42	0.3113	0.2926	0.0168	0.076*
C43	0.3196 (3)	0.3180 (3)	0.0887 (3)	0.061 (2)
H43	0.2811	0.3401	0.0807	0.073*
C44	0.5176 (3)	0.2072 (3)	0.0873 (3)	0.079 (3)
H44A	0.4954	0.1677	0.0653	0.094*
H44B	0.5598	0.1925	0.1033	0.094*
H44C	0.5156	0.2521	0.0677	0.094*
C45	0.5211 (3)	0.5360 (3)	0.3182 (2)	0.0449 (17)
H45A	0.5388	0.5503	0.2926	0.054*
H45B	0.5050	0.5808	0.3288	0.054*
C46	0.5692 (3)	0.5020 (3)	0.3627 (2)	0.0408 (16)
C47	0.5971 (3)	0.4353 (3)	0.3557 (2)	0.0355 (15)
C48	0.6372 (3)	0.3987 (3)	0.3986 (2)	0.0422 (16)
C49	0.6514 (3)	0.4294 (3)	0.4468 (2)	0.0508 (18)
H49	0.6792	0.4054	0.4750	0.061*
C50	0.6241 (3)	0.4955 (3)	0.4527 (2)	0.061 (2)
H50	0.6328	0.5159	0.4851	0.074*
C51	0.5844 (3)	0.5318 (3)	0.4112 (3)	0.060 (2)
H51	0.5673	0.5774	0.4158	0.072*
C52	0.6897 (3)	0.2828 (3)	0.4301 (2)	0.067 (2)
H52A	0.7265	0.3062	0.4524	0.080*
H52B	0.7000	0.2365	0.4173	0.080*
H52C	0.6624	0.2729	0.4486	0.080*
C53	0.3661 (2)	0.4565 (3)	0.2399 (2)	0.0394 (16)
H53A	0.3593	0.4274	0.2669	0.047*
H53B	0.3276	0.4803	0.2201	0.047*
C54	0.4139 (3)	0.5153 (3)	0.2627 (2)	0.0451 (17)
H54A	0.4219	0.5428	0.2356	0.054*
H54B	0.3988	0.5506	0.2821	0.054*
C55	0.6030 (3)	0.3813 (3)	0.1861 (2)	0.0442 (16)
H55A	0.6349	0.3615	0.1745	0.053*
H55B	0.6210	0.4203	0.2111	0.053*
C56	0.5527 (3)	0.4139 (3)	0.1420 (2)	0.0392 (16)
C57	0.5036 (3)	0.4483 (3)	0.1514 (2)	0.0358 (15)
C58	0.4536 (3)	0.4757 (3)	0.1106 (2)	0.0399 (16)
C59	0.4539 (3)	0.4685 (3)	0.0620 (2)	0.0492 (18)
H59	0.4208	0.4866	0.0349	0.059*
C60	0.5028 (3)	0.4346 (3)	0.0524 (2)	0.0539 (19)
H60	0.5029	0.4307	0.0192	0.065*
C61	0.5509 (3)	0.4070 (3)	0.0923 (2)	0.0480 (18)
H61	0.5831	0.3830	0.0857	0.058*
C62	0.3505 (3)	0.5210 (3)	0.0847 (2)	0.065 (2)
H62A	0.3561	0.5585	0.0619	0.078*
H62B	0.3209	0.5383	0.0992	0.078*
H62C	0.3361	0.4753	0.0661	0.078*
C63	0.5295 (3)	0.1895 (3)	0.3152 (2)	0.0421 (17)
H63A	0.5534	0.1436	0.3245	0.050*
H63B	0.4910	0.1778	0.2884	0.050*
C64	0.5171 (3)	0.2207 (3)	0.3612 (2)	0.0356 (15)
C65	0.4866 (3)	0.2892 (3)	0.3557 (2)	0.0335 (15)
C66	0.4808 (3)	0.3226 (3)	0.3996 (2)	0.0405 (16)
C67	0.5025 (3)	0.2867 (3)	0.4458 (2)	0.0538 (19)
H67	0.4982	0.3088	0.4746	0.065*
C68	0.5306 (3)	0.2181 (3)	0.4496 (2)	0.0571 (19)
H68	0.5445	0.1936	0.4809	0.069*
C69	0.5385 (3)	0.1852 (3)	0.4081 (2)	0.0505 (18)
H69	0.5582	0.1390	0.4113	0.061*
C70	0.4556 (3)	0.4337 (3)	0.4358 (2)	0.080 (2)
H70A	0.4320	0.4085	0.4533	0.095*
H70B	0.4389	0.4830	0.4258	0.095*
H70C	0.4976	0.4379	0.4581	0.095*
C71	0.6273 (2)	0.2727 (3)	0.2448 (2)	0.0390 (16)
H71A	0.6541	0.3025	0.2727	0.047*
H71B	0.6520	0.2507	0.2264	0.047*
C72	0.5968 (3)	0.2112 (3)	0.2653 (2)	0.0414 (16)
H72A	0.5682	0.1835	0.2372	0.050*
H72B	0.6277	0.1765	0.2859	0.050*
C73	0.8753 (3)	0.5257 (3)	0.1758 (2)	0.0549 (19)
H73A	0.8709	0.4805	0.1937	0.066*
H73B	0.9085	0.5177	0.1627	0.066*
C74	0.8174 (3)	0.5400 (3)	0.1327 (2)	0.0486 (18)
C75	0.7641 (3)	0.5525 (3)	0.1445 (2)	0.0417 (16)
C76	0.7095 (3)	0.5691 (3)	0.1056 (3)	0.0528 (18)
C77	0.7074 (3)	0.5724 (3)	0.0558 (3)	0.068 (2)
H77	0.6707	0.5831	0.0297	0.082*
C78	0.7598 (4)	0.5597 (4)	0.0450 (3)	0.085 (3)
H78	0.7583	0.5624	0.0113	0.102*
C79	0.8143 (4)	0.5433 (4)	0.0823 (3)	0.074 (2)
H79	0.8492	0.5343	0.0739	0.088*
C80	0.6039 (3)	0.6046 (4)	0.0857 (3)	0.086 (2)
H80A	0.6090	0.6521	0.0714	0.104*
H80B	0.5740	0.6095	0.1023	0.104*
H80C	0.5901	0.5678	0.0590	0.104*
C81	0.9398 (3)	0.7041 (3)	0.3527 (2)	0.0535 (18)
H81A	0.9230	0.7510	0.3360	0.064*
H81B	0.9838	0.7104	0.3690	0.064*
C82	0.9121 (3)	0.6871 (3)	0.3924 (2)	0.0524 (18)
C83	0.8496 (3)	0.6736 (3)	0.3765 (2)	0.0447 (17)
C84	0.8232 (3)	0.6539 (3)	0.4134 (3)	0.056 (2)
C85	0.8592 (4)	0.6498 (3)	0.4642 (3)	0.079 (3)
H85	0.8419	0.6381	0.4888	0.095*
C86	0.9214 (4)	0.6631 (4)	0.4781 (3)	0.096 (3)
H86	0.9458	0.6593	0.5123	0.115*
C87	0.9482 (4)	0.6815 (4)	0.4438 (3)	0.076 (2)
H87	0.9903	0.6904	0.4543	0.091*
C88	0.7324 (4)	0.6150 (4)	0.4279 (3)	0.104 (3)
H88A	0.7516	0.5692	0.4437	0.124*
H88B	0.6898	0.6057	0.4089	0.124*
H88C	0.7357	0.6520	0.4538	0.124*
C89	0.9555 (3)	0.5878 (3)	0.2461 (2)	0.0551 (19)
H89A	0.9643	0.5411	0.2651	0.066*
H89B	0.9827	0.5916	0.2264	0.066*
C90	0.9661 (3)	0.6518 (3)	0.2818 (2)	0.0546 (19)
H90A	1.0091	0.6534	0.3032	0.065*
H90B	0.9562	0.6983	0.2627	0.065*
C91	0.6980 (3)	0.7497 (3)	0.2072 (2)	0.0501 (18)
H91A	0.7204	0.7801	0.2365	0.060*
H91B	0.6553	0.7652	0.1957	0.060*
C92	0.7235 (3)	0.7630 (3)	0.1652 (2)	0.0412 (16)
C93	0.7848 (3)	0.7444 (3)	0.1746 (2)	0.0394 (16)
C94	0.8092 (3)	0.7563 (3)	0.1351 (3)	0.0522 (19)
C95	0.7734 (4)	0.7853 (3)	0.0897 (3)	0.068 (2)
H95	0.7898	0.7936	0.0641	0.082*
C96	0.7120 (3)	0.8026 (3)	0.0812 (3)	0.072 (2)
H96	0.6878	0.8226	0.0500	0.087*
C97	0.6873 (3)	0.7906 (3)	0.1183 (2)	0.0575 (19)
H97	0.6461	0.8010	0.1121	0.069*
C98	0.8971 (4)	0.7423 (4)	0.1105 (3)	0.127 (3)
H98A	0.8733	0.7139	0.0810	0.152*
H98B	0.9381	0.7225	0.1235	0.152*
H98C	0.8984	0.7939	0.1011	0.152*
C99	0.7429 (3)	0.4710 (3)	0.3095 (2)	0.0507 (18)
H99A	0.7094	0.4529	0.3198	0.061*
H99B	0.7431	0.4419	0.2801	0.061*
C100	0.8023 (3)	0.4602 (3)	0.3521 (2)	0.0474 (18)
C101	0.8562 (3)	0.4807 (3)	0.3435 (2)	0.0420 (17)
C102	0.9124 (3)	0.4701 (3)	0.3827 (3)	0.0561 (19)
C103	0.9148 (4)	0.4384 (3)	0.4285 (3)	0.075 (2)
H103	0.9524	0.4309	0.4543	0.090*
C104	0.8609 (4)	0.4181 (4)	0.4355 (3)	0.083 (3)
H104	0.8622	0.3965	0.4662	0.100*
C105	0.8059 (3)	0.4295 (3)	0.3980 (3)	0.070 (2)
H105	0.7700	0.4161	0.4036	0.084*
C06A	1.0194 (6)	0.5001 (6)	0.4130 (5)	0.097 (4)	0.62
H06A	1.0513	0.5156	0.4004	0.116*	0.62
H06B	1.0303	0.4528	0.4303	0.116*	0.62
H06C	1.0147	0.5372	0.4364	0.116*	0.62
C06B	1.0211 (10)	0.4605 (10)	0.3966 (9)	0.097 (3)	0.38
H06D	1.0508	0.4821	0.3837	0.116*	0.38
H06E	1.0193	0.4072	0.3911	0.116*	0.38
H06F	1.0329	0.4705	0.4326	0.116*	0.38
C107	0.6634 (3)	0.6506 (3)	0.2522 (3)	0.0639 (18)
H10D	0.6209	0.6633	0.2331	0.077*
H10E	0.6761	0.6788	0.2839	0.077*
C108	0.6690 (3)	0.5680 (3)	0.2634 (3)	0.055 (2)
H10F	0.6414	0.5535	0.2813	0.067*
H10G	0.6579	0.5398	0.2317	0.067*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ce1	0.0379 (2)	0.02762 (19)	0.0340 (2)	0.00016 (17)	0.01362 (18)	0.00090 (17)
Ce2	0.0342 (2)	0.02958 (18)	0.0274 (2)	0.00415 (13)	0.01084 (17)	0.00051 (15)
Ce3	0.02715 (19)	0.0325 (2)	0.0375 (2)	−0.00208 (16)	0.01259 (18)	−0.00122 (17)
N1	0.045 (3)	0.033 (3)	0.054 (4)	0.000 (2)	0.027 (3)	−0.004 (3)
N2	0.053 (4)	0.033 (3)	0.048 (4)	−0.003 (2)	0.023 (3)	0.007 (2)
N3	0.044 (3)	0.035 (3)	0.051 (4)	0.003 (2)	0.026 (3)	0.006 (2)
N4	0.043 (3)	0.031 (3)	0.049 (4)	0.003 (2)	0.019 (3)	0.004 (2)
N5	0.037 (3)	0.036 (3)	0.033 (3)	0.005 (2)	0.013 (3)	0.007 (2)
N6	0.042 (3)	0.035 (3)	0.039 (3)	0.003 (2)	0.020 (3)	0.002 (2)
N7	0.044 (3)	0.039 (3)	0.026 (3)	−0.001 (2)	0.019 (3)	−0.008 (2)
N8	0.034 (3)	0.037 (3)	0.028 (3)	−0.003 (2)	0.009 (3)	0.000 (2)
N9	0.044 (4)	0.053 (3)	0.043 (4)	0.007 (2)	0.022 (3)	0.001 (3)
N10	0.039 (3)	0.051 (3)	0.045 (4)	−0.003 (2)	0.014 (3)	0.000 (3)
N11	0.035 (3)	0.035 (3)	0.048 (3)	−0.004 (2)	0.017 (3)	−0.007 (2)
N12	0.041 (3)	0.033 (3)	0.062 (4)	−0.001 (2)	0.027 (3)	−0.003 (3)
O1	0.046 (3)	0.045 (2)	0.039 (3)	0.000 (2)	0.020 (2)	−0.005 (2)
O2	0.070 (4)	0.080 (4)	0.042 (3)	0.002 (3)	0.017 (3)	0.017 (3)
O3	0.058 (3)	0.041 (3)	0.036 (3)	0.001 (2)	0.020 (3)	−0.004 (2)
O4	0.077 (4)	0.045 (3)	0.093 (4)	−0.007 (2)	0.045 (3)	−0.025 (3)
O5	0.034 (3)	0.040 (2)	0.048 (3)	−0.0061 (18)	0.011 (2)	−0.001 (2)
O6	0.060 (3)	0.038 (3)	0.082 (4)	−0.004 (2)	0.022 (3)	−0.010 (2)
O7	0.040 (3)	0.043 (2)	0.037 (3)	−0.003 (2)	0.008 (2)	−0.005 (2)
O8	0.085 (4)	0.086 (4)	0.042 (3)	0.017 (3)	0.013 (3)	0.020 (3)
O9	0.034 (3)	0.046 (3)	0.029 (3)	−0.0011 (18)	0.011 (2)	−0.0056 (19)
O10	0.057 (3)	0.062 (3)	0.046 (3)	−0.007 (2)	0.029 (3)	−0.013 (2)
O11	0.038 (3)	0.042 (3)	0.029 (2)	0.0040 (18)	0.008 (2)	−0.0083 (19)
O12	0.049 (3)	0.053 (3)	0.043 (3)	0.005 (2)	0.009 (3)	−0.003 (2)
O13	0.040 (3)	0.042 (2)	0.037 (3)	0.0015 (18)	0.020 (2)	0.0045 (19)
O14	0.039 (3)	0.052 (3)	0.047 (3)	0.006 (2)	0.011 (3)	0.009 (2)
O15	0.040 (3)	0.047 (3)	0.031 (3)	0.0070 (19)	0.017 (2)	0.010 (2)
O16	0.068 (3)	0.055 (3)	0.046 (3)	0.008 (2)	0.034 (3)	−0.006 (2)
O17	0.037 (3)	0.053 (3)	0.032 (3)	0.0001 (19)	0.013 (2)	−0.004 (2)
O18	0.041 (3)	0.075 (3)	0.056 (3)	0.004 (2)	0.000 (3)	−0.010 (2)
O19	0.041 (3)	0.052 (3)	0.043 (3)	−0.005 (2)	0.018 (2)	0.000 (2)
O20	0.095 (4)	0.075 (3)	0.078 (4)	−0.016 (3)	0.062 (4)	−0.011 (3)
O21	0.034 (3)	0.045 (3)	0.042 (3)	0.0060 (18)	0.012 (2)	0.014 (2)
O22	0.079 (4)	0.088 (4)	0.080 (4)	0.014 (3)	0.059 (4)	0.028 (3)
O23	0.037 (3)	0.046 (3)	0.051 (3)	−0.0023 (19)	0.022 (2)	0.009 (2)
O24	0.044 (3)	0.090 (4)	0.097 (4)	0.000 (3)	0.005 (3)	0.040 (3)
C1	0.054 (5)	0.037 (4)	0.095 (6)	−0.003 (3)	0.042 (5)	−0.005 (4)
C2	0.045 (4)	0.053 (4)	0.049 (5)	0.001 (3)	0.031 (4)	−0.008 (3)
C3	0.022 (4)	0.058 (4)	0.043 (4)	−0.004 (3)	0.015 (4)	−0.001 (3)
C4	0.048 (5)	0.077 (5)	0.037 (4)	−0.014 (4)	0.019 (4)	−0.007 (4)
C5	0.097 (7)	0.113 (7)	0.056 (6)	−0.026 (6)	0.035 (6)	−0.012 (5)
C6	0.121 (9)	0.115 (7)	0.072 (7)	−0.033 (6)	0.059 (7)	−0.047 (6)
C7	0.082 (7)	0.080 (6)	0.099 (7)	−0.018 (4)	0.057 (6)	−0.029 (5)
C8	0.104 (8)	0.116 (7)	0.059 (6)	0.010 (5)	0.012 (6)	0.028 (5)
C9	0.061 (5)	0.053 (4)	0.062 (5)	−0.005 (3)	0.040 (4)	0.009 (4)
C10	0.044 (4)	0.058 (4)	0.040 (4)	0.006 (3)	0.019 (4)	−0.003 (4)
C11	0.038 (4)	0.041 (4)	0.041 (4)	−0.001 (3)	0.016 (4)	−0.011 (3)
C12	0.042 (4)	0.058 (5)	0.059 (5)	0.005 (3)	0.021 (4)	−0.014 (4)
C13	0.066 (6)	0.082 (6)	0.075 (6)	−0.005 (4)	0.025 (5)	−0.039 (5)
C14	0.076 (6)	0.105 (7)	0.047 (6)	0.012 (5)	0.015 (5)	−0.018 (5)
C15	0.075 (5)	0.073 (5)	0.047 (5)	0.007 (4)	0.027 (5)	−0.002 (4)
C16	0.101 (7)	0.056 (5)	0.152 (9)	−0.025 (4)	0.071 (7)	−0.047 (5)
C17	0.084 (6)	0.032 (4)	0.077 (6)	0.013 (3)	0.041 (5)	0.011 (4)
C18	0.095 (6)	0.034 (4)	0.069 (5)	0.006 (4)	0.047 (5)	0.017 (4)
C19	0.040 (4)	0.052 (4)	0.057 (5)	0.002 (3)	0.020 (4)	0.001 (3)
C20	0.034 (4)	0.053 (4)	0.039 (4)	−0.009 (3)	0.014 (3)	−0.007 (3)
C21	0.027 (4)	0.047 (4)	0.043 (4)	−0.007 (3)	0.015 (4)	−0.003 (3)
C22	0.041 (4)	0.045 (4)	0.061 (5)	−0.015 (3)	0.025 (4)	−0.010 (4)
C23	0.056 (5)	0.070 (5)	0.058 (5)	−0.025 (4)	0.026 (5)	−0.025 (4)
C24	0.059 (5)	0.101 (6)	0.036 (5)	−0.027 (4)	0.017 (4)	−0.012 (4)
C25	0.046 (4)	0.073 (5)	0.053 (5)	−0.007 (4)	0.019 (4)	0.003 (4)
C26	0.068 (6)	0.046 (5)	0.118 (7)	−0.002 (4)	0.033 (5)	−0.030 (4)
C27	0.036 (4)	0.036 (4)	0.092 (6)	−0.004 (3)	0.031 (4)	−0.006 (4)
C28	0.029 (4)	0.061 (5)	0.057 (5)	0.001 (3)	0.016 (4)	−0.006 (4)
C29	0.034 (4)	0.053 (4)	0.048 (5)	0.005 (3)	0.017 (4)	−0.005 (4)
C30	0.044 (5)	0.074 (5)	0.045 (5)	0.004 (4)	0.008 (4)	−0.003 (4)
C31	0.068 (6)	0.102 (7)	0.049 (5)	0.016 (5)	−0.002 (5)	−0.020 (5)
C32	0.059 (6)	0.099 (7)	0.078 (7)	−0.001 (5)	0.001 (5)	−0.051 (5)
C33	0.050 (5)	0.069 (5)	0.084 (6)	−0.005 (4)	0.013 (5)	−0.034 (5)
C34	0.150 (9)	0.134 (7)	0.056 (6)	0.026 (6)	0.010 (6)	0.035 (5)
C35	0.057 (5)	0.028 (4)	0.073 (6)	0.003 (3)	0.002 (4)	0.010 (3)
C36	0.074 (6)	0.038 (4)	0.057 (5)	−0.014 (3)	0.011 (5)	0.005 (3)
C37	0.036 (4)	0.053 (4)	0.051 (5)	−0.008 (3)	0.017 (4)	0.000 (3)
C38	0.038 (4)	0.043 (4)	0.036 (4)	−0.013 (3)	0.007 (4)	−0.003 (3)
C39	0.043 (4)	0.037 (4)	0.039 (4)	−0.013 (3)	0.017 (4)	−0.006 (3)
C40	0.050 (5)	0.042 (4)	0.031 (4)	−0.012 (3)	0.013 (4)	−0.008 (3)
C41	0.074 (6)	0.067 (5)	0.037 (5)	−0.015 (4)	0.021 (5)	−0.011 (4)
C42	0.074 (6)	0.061 (5)	0.037 (5)	−0.007 (4)	−0.001 (5)	−0.005 (4)
C43	0.055 (5)	0.052 (5)	0.065 (6)	−0.001 (3)	0.006 (5)	0.008 (4)
C44	0.093 (7)	0.079 (5)	0.096 (7)	−0.027 (4)	0.073 (6)	−0.037 (5)
C45	0.038 (4)	0.044 (4)	0.048 (5)	−0.001 (3)	0.009 (4)	−0.007 (3)
C46	0.046 (4)	0.037 (4)	0.043 (4)	−0.001 (3)	0.021 (4)	−0.008 (3)
C47	0.034 (4)	0.043 (4)	0.031 (4)	−0.012 (3)	0.012 (3)	−0.001 (3)
C48	0.044 (4)	0.043 (4)	0.041 (4)	−0.004 (3)	0.017 (4)	−0.004 (3)
C49	0.050 (5)	0.065 (5)	0.033 (4)	−0.001 (3)	0.008 (4)	0.000 (3)
C50	0.068 (6)	0.074 (5)	0.047 (5)	−0.009 (4)	0.027 (5)	−0.023 (4)
C51	0.066 (6)	0.049 (5)	0.068 (6)	−0.005 (4)	0.029 (5)	−0.020 (4)
C52	0.070 (6)	0.070 (5)	0.054 (5)	0.013 (4)	0.013 (5)	0.008 (4)
C53	0.032 (4)	0.041 (4)	0.051 (4)	0.004 (3)	0.021 (4)	0.000 (3)
C54	0.054 (5)	0.031 (4)	0.056 (5)	0.007 (3)	0.027 (4)	0.008 (3)
C55	0.045 (4)	0.047 (4)	0.051 (4)	−0.008 (3)	0.030 (4)	−0.003 (3)
C56	0.038 (4)	0.042 (4)	0.040 (4)	−0.002 (3)	0.017 (4)	0.006 (3)
C57	0.046 (4)	0.036 (4)	0.027 (4)	−0.011 (3)	0.013 (4)	0.003 (3)
C58	0.042 (4)	0.041 (4)	0.037 (4)	−0.005 (3)	0.014 (4)	0.001 (3)
C59	0.057 (5)	0.047 (4)	0.037 (4)	−0.001 (3)	0.008 (4)	0.007 (3)
C60	0.081 (6)	0.058 (5)	0.031 (4)	−0.004 (4)	0.031 (4)	0.005 (3)
C61	0.060 (5)	0.052 (4)	0.039 (4)	−0.002 (3)	0.026 (4)	0.000 (3)
C62	0.040 (5)	0.072 (5)	0.070 (6)	0.000 (3)	0.005 (4)	0.006 (4)
C63	0.051 (4)	0.030 (4)	0.049 (5)	−0.002 (3)	0.023 (4)	0.003 (3)
C64	0.039 (4)	0.033 (4)	0.036 (4)	−0.003 (3)	0.014 (4)	0.004 (3)
C65	0.034 (4)	0.038 (4)	0.028 (4)	−0.004 (3)	0.010 (3)	0.007 (3)
C66	0.046 (4)	0.039 (4)	0.040 (4)	0.000 (3)	0.019 (4)	−0.002 (3)
C67	0.058 (5)	0.070 (5)	0.038 (5)	−0.005 (4)	0.023 (4)	0.000 (4)
C68	0.062 (5)	0.067 (5)	0.039 (5)	−0.004 (4)	0.013 (4)	0.019 (4)
C69	0.056 (5)	0.050 (4)	0.049 (5)	0.002 (3)	0.022 (4)	0.011 (3)
C70	0.094 (7)	0.081 (6)	0.074 (6)	0.009 (4)	0.042 (6)	−0.019 (4)
C71	0.033 (4)	0.045 (4)	0.042 (4)	0.016 (3)	0.017 (4)	0.007 (3)
C72	0.046 (4)	0.038 (4)	0.049 (4)	0.013 (3)	0.029 (4)	0.002 (3)
C73	0.055 (5)	0.065 (5)	0.055 (5)	0.007 (4)	0.031 (4)	−0.003 (4)
C74	0.064 (5)	0.045 (4)	0.044 (5)	0.010 (3)	0.028 (4)	−0.007 (3)
C75	0.046 (4)	0.033 (4)	0.038 (4)	−0.001 (3)	0.006 (4)	−0.011 (3)
C76	0.049 (5)	0.049 (4)	0.054 (5)	−0.004 (3)	0.011 (4)	−0.015 (4)
C77	0.075 (6)	0.078 (5)	0.042 (5)	−0.005 (4)	0.006 (5)	−0.006 (4)
C78	0.090 (7)	0.122 (7)	0.041 (5)	−0.007 (5)	0.020 (6)	−0.009 (5)
C79	0.076 (6)	0.099 (6)	0.053 (6)	−0.003 (5)	0.031 (5)	−0.020 (5)
C80	0.053 (5)	0.096 (6)	0.086 (7)	0.006 (4)	−0.008 (5)	−0.003 (5)
C81	0.039 (4)	0.059 (5)	0.056 (5)	−0.008 (3)	0.009 (4)	−0.012 (4)
C82	0.058 (5)	0.051 (4)	0.044 (5)	−0.011 (3)	0.012 (4)	−0.012 (3)
C83	0.058 (5)	0.029 (4)	0.050 (5)	−0.003 (3)	0.022 (4)	−0.008 (3)
C84	0.082 (6)	0.044 (4)	0.057 (5)	−0.006 (4)	0.042 (5)	−0.010 (4)
C85	0.122 (8)	0.071 (5)	0.052 (6)	−0.010 (5)	0.041 (6)	−0.010 (4)
C86	0.136 (9)	0.089 (6)	0.047 (6)	−0.002 (6)	0.013 (6)	−0.002 (5)
C87	0.075 (6)	0.085 (6)	0.057 (6)	−0.005 (4)	0.008 (5)	−0.007 (5)
C88	0.131 (7)	0.101 (6)	0.125 (7)	−0.015 (5)	0.103 (6)	−0.001 (5)
C89	0.036 (4)	0.075 (5)	0.057 (5)	0.012 (3)	0.019 (4)	0.008 (4)
C90	0.038 (4)	0.066 (5)	0.063 (5)	−0.008 (3)	0.023 (4)	0.002 (4)
C91	0.040 (4)	0.044 (4)	0.066 (5)	0.000 (3)	0.019 (4)	−0.007 (3)
C92	0.038 (4)	0.033 (4)	0.045 (5)	−0.004 (3)	0.005 (4)	0.000 (3)
C93	0.042 (4)	0.031 (4)	0.042 (4)	−0.003 (3)	0.010 (4)	−0.001 (3)
C94	0.062 (5)	0.042 (4)	0.060 (5)	0.006 (3)	0.029 (5)	0.010 (4)
C95	0.097 (7)	0.059 (5)	0.056 (6)	−0.001 (4)	0.036 (5)	0.001 (4)
C96	0.091 (7)	0.068 (5)	0.041 (5)	−0.006 (4)	0.001 (5)	0.003 (4)
C97	0.055 (5)	0.047 (4)	0.055 (5)	0.000 (3)	−0.001 (4)	−0.004 (4)
C98	0.125 (8)	0.162 (8)	0.135 (8)	0.031 (6)	0.097 (7)	0.043 (6)
C99	0.046 (4)	0.036 (4)	0.080 (6)	−0.004 (3)	0.035 (4)	−0.005 (3)
C100	0.062 (5)	0.035 (4)	0.059 (5)	0.003 (3)	0.038 (4)	0.002 (3)
C101	0.052 (5)	0.028 (4)	0.050 (5)	0.004 (3)	0.023 (4)	0.001 (3)
C102	0.063 (5)	0.046 (4)	0.061 (5)	0.004 (3)	0.023 (5)	0.006 (4)
C103	0.096 (7)	0.079 (6)	0.043 (5)	0.017 (5)	0.017 (5)	0.011 (4)
C104	0.123 (9)	0.079 (6)	0.066 (6)	0.019 (5)	0.057 (6)	0.020 (4)
C105	0.094 (7)	0.057 (5)	0.087 (7)	0.009 (4)	0.069 (6)	0.010 (4)
C06A	0.076 (7)	0.092 (7)	0.106 (7)	−0.012 (5)	0.011 (5)	0.017 (5)
C06B	0.076 (5)	0.092 (5)	0.106 (5)	−0.012 (5)	0.011 (4)	0.017 (4)
C107	0.036 (4)	0.060 (4)	0.101 (5)	0.012 (3)	0.032 (4)	0.011 (4)
C108	0.039 (4)	0.046 (4)	0.092 (6)	−0.010 (3)	0.036 (5)	0.003 (4)

Geometric parameters (Å, º)

Ce1—O7	2.184 (4)	C31—H31	0.9300
Ce1—O1	2.192 (3)	C32—C33	1.360 (9)
Ce1—O3	2.205 (3)	C32—H32	0.9300
Ce1—O5	2.207 (4)	C33—H33	0.9300
Ce1—N2	2.611 (4)	C34—H34A	0.9600
Ce1—N3	2.612 (4)	C34—H34B	0.9600
Ce1—N1	2.649 (4)	C34—H34C	0.9600
Ce1—N4	2.656 (4)	C35—C36	1.482 (8)
Ce2—O9	2.198 (3)	C35—H35A	0.9700
Ce2—O11	2.200 (4)	C35—H35B	0.9700
Ce2—O13	2.205 (3)	C36—H36A	0.9700
Ce2—O15	2.211 (3)	C36—H36B	0.9700
Ce2—N7	2.610 (4)	C37—C38	1.496 (7)
Ce2—N5	2.617 (4)	C37—H37A	0.9700
Ce2—N8	2.619 (4)	C37—H37B	0.9700
Ce2—N6	2.624 (4)	C38—C39	1.391 (7)
Ce3—O17	2.177 (4)	C38—C43	1.394 (8)
Ce3—O19	2.189 (4)	C39—C40	1.402 (7)
Ce3—O21	2.207 (3)	C40—C41	1.358 (8)
Ce3—O23	2.215 (3)	C41—C42	1.366 (8)
Ce3—N10	2.613 (5)	C41—H41	0.9300
Ce3—N11	2.616 (4)	C42—C43	1.366 (7)
Ce3—N12	2.626 (4)	C42—H42	0.9300
Ce3—N9	2.636 (4)	C43—H43	0.9300
N1—C1	1.467 (6)	C44—H44A	0.9600
N1—C17	1.488 (6)	C44—H44B	0.9600
N1—H1	0.9100	C44—H44C	0.9600
N2—C9	1.477 (6)	C45—C46	1.482 (7)
N2—C18	1.477 (6)	C45—H45A	0.9700
N2—H2	0.9100	C45—H45B	0.9700
N3—C19	1.456 (6)	C46—C51	1.381 (7)
N3—C35	1.468 (6)	C46—C47	1.398 (7)
N3—H3	0.9100	C47—C48	1.397 (7)
N4—C36	1.470 (7)	C48—C49	1.383 (7)
N4—C27	1.472 (7)	C49—C50	1.373 (7)
N4—H4	0.9100	C49—H49	0.9300
N5—C53	1.457 (6)	C50—C51	1.368 (8)
N5—C37	1.472 (6)	C50—H50	0.9300
N5—H5	0.9100	C51—H51	0.9300
N6—C54	1.454 (6)	C52—H52A	0.9600
N6—C45	1.486 (6)	C52—H52B	0.9600
N6—H6	0.9100	C52—H52C	0.9600
N7—C71	1.471 (6)	C53—C54	1.497 (7)
N7—C55	1.480 (6)	C53—H53A	0.9700
N7—H7	0.9100	C53—H53B	0.9700
N8—C63	1.471 (5)	C54—H54A	0.9700
N8—C72	1.483 (5)	C54—H54B	0.9700
N8—H8	0.9100	C55—C56	1.490 (7)
N9—C73	1.455 (6)	C55—H55A	0.9700
N9—C89	1.483 (7)	C55—H55B	0.9700
N9—H9	0.9100	C56—C61	1.379 (7)
N10—C81	1.471 (6)	C56—C57	1.395 (7)
N10—C90	1.473 (6)	C57—C58	1.402 (7)
N10—H10	0.9100	C58—C59	1.363 (7)
N11—C107	1.463 (6)	C59—C60	1.389 (7)
N11—C91	1.475 (6)	C59—H59	0.9300
N11—H11	0.9100	C60—C61	1.366 (8)
N12—C108	1.464 (7)	C60—H60	0.9300
N12—C99	1.493 (6)	C61—H61	0.9300
N12—H12	0.9100	C62—H62A	0.9600
O1—C3	1.334 (6)	C62—H62B	0.9600
O2—C4	1.358 (6)	C62—H62C	0.9600
O2—C8	1.401 (7)	C63—C64	1.513 (6)
O3—C11	1.310 (6)	C63—H63A	0.9700
O4—C12	1.368 (6)	C63—H63B	0.9700
O4—C16	1.411 (6)	C64—C69	1.380 (7)
O5—C21	1.329 (6)	C64—C65	1.392 (7)
O6—C22	1.369 (7)	C65—C66	1.409 (7)
O6—C26	1.416 (6)	C66—C67	1.369 (7)
O7—C29	1.327 (6)	C67—C68	1.370 (7)
O8—C30	1.373 (6)	C67—H67	0.9300
O8—C34	1.416 (7)	C68—C69	1.364 (7)
O9—C39	1.323 (6)	C68—H68	0.9300
O10—C40	1.376 (6)	C69—H69	0.9300
O10—C44	1.420 (6)	C70—H70A	0.9600
O11—C47	1.321 (6)	C70—H70B	0.9600
O12—C48	1.381 (6)	C70—H70C	0.9600
O12—C52	1.412 (6)	C71—C72	1.518 (6)
O13—C57	1.334 (5)	C71—H71A	0.9700
O14—C58	1.377 (6)	C71—H71B	0.9700
O14—C62	1.412 (6)	C72—H72A	0.9700
O15—C65	1.312 (6)	C72—H72B	0.9700
O16—C66	1.377 (6)	C73—C74	1.484 (8)
O16—C70	1.416 (6)	C73—H73A	0.9700
O17—C75	1.330 (6)	C73—H73B	0.9700
O18—C76	1.372 (6)	C74—C79	1.384 (8)
O18—C80	1.413 (7)	C74—C75	1.400 (7)
O19—C83	1.330 (6)	C75—C76	1.386 (8)
O20—C84	1.351 (7)	C76—C77	1.374 (8)
O20—C88	1.409 (6)	C77—C78	1.365 (8)
O21—C93	1.325 (6)	C77—H77	0.9300
O22—C94	1.369 (7)	C78—C79	1.362 (9)
O22—C98	1.408 (6)	C78—H78	0.9300
O23—C101	1.318 (6)	C79—H79	0.9300
O24—C102	1.371 (7)	C80—H80A	0.9600
O24—C06B	1.41 (2)	C80—H80B	0.9600
O24—C06A	1.434 (13)	C80—H80C	0.9600
C1—C2	1.514 (8)	C81—C82	1.489 (7)
C1—H1A	0.9700	C81—H81A	0.9700
C1—H1B	0.9700	C81—H81B	0.9700
C2—C3	1.372 (7)	C82—C83	1.381 (8)
C2—C7	1.380 (8)	C82—C87	1.392 (8)
C3—C4	1.400 (7)	C83—C84	1.411 (7)
C4—C5	1.386 (8)	C84—C85	1.378 (9)
C5—C6	1.366 (9)	C85—C86	1.377 (10)
C5—H5A	0.9300	C85—H85	0.9300
C6—C7	1.367 (10)	C86—C87	1.348 (8)
C6—H6A	0.9300	C86—H86	0.9300
C7—H7A	0.9300	C87—H87	0.9300
C8—H8A	0.9600	C88—H88A	0.9600
C8—H8B	0.9600	C88—H88B	0.9600
C8—H8C	0.9600	C88—H88C	0.9600
C9—C10	1.495 (7)	C89—C90	1.475 (7)
C9—H9A	0.9700	C89—H89A	0.9700
C9—H9B	0.9700	C89—H89B	0.9700
C10—C15	1.369 (7)	C90—H90A	0.9700
C10—C11	1.401 (7)	C90—H90B	0.9700
C11—C12	1.402 (7)	C91—C92	1.501 (7)
C12—C13	1.359 (8)	C91—H91A	0.9700
C13—C14	1.392 (8)	C91—H91B	0.9700
C13—H13	0.9300	C92—C97	1.377 (8)
C14—C15	1.360 (8)	C92—C93	1.392 (7)
C14—H14	0.9300	C93—C94	1.414 (7)
C15—H15	0.9300	C94—C95	1.355 (8)
C16—H16A	0.9600	C95—C96	1.392 (9)
C16—H16B	0.9600	C95—H95	0.9300
C16—H16C	0.9600	C96—C97	1.361 (7)
C17—C18	1.514 (7)	C96—H96	0.9300
C17—H17A	0.9700	C97—H97	0.9300
C17—H17B	0.9700	C98—H98A	0.9600
C18—H18A	0.9700	C98—H98B	0.9600
C18—H18B	0.9700	C98—H98C	0.9600
C19—C20	1.511 (7)	C99—C100	1.489 (8)
C19—H19A	0.9700	C99—H99A	0.9700
C19—H19B	0.9700	C99—H99B	0.9700
C20—C25	1.371 (7)	C100—C105	1.369 (7)
C20—C21	1.388 (7)	C100—C101	1.400 (7)
C21—C22	1.422 (7)	C101—C102	1.395 (8)
C22—C23	1.350 (8)	C102—C103	1.380 (8)
C23—C24	1.368 (8)	C103—C104	1.377 (9)
C23—H23	0.9300	C103—H103	0.9300
C24—C25	1.386 (7)	C104—C105	1.356 (9)
C24—H24	0.9300	C104—H104	0.9300
C25—H25	0.9300	C105—H105	0.9300
C26—H26A	0.9600	C06A—H06A	0.9600
C26—H26B	0.9600	C06A—H06B	0.9600
C26—H26C	0.9600	C06A—H06C	0.9600
C27—C28	1.486 (8)	C06B—H06D	0.9600
C27—H27A	0.9700	C06B—H06E	0.9600
C27—H27B	0.9700	C06B—H06F	0.9600
C28—C33	1.388 (8)	C107—C108	1.500 (6)
C28—C29	1.404 (7)	C107—H10D	0.9700
C29—C30	1.384 (8)	C107—H10E	0.9700
C30—C31	1.372 (8)	C108—H10F	0.9700
C31—C32	1.361 (8)	C108—H10G	0.9700
O7—Ce1—O1	90.12 (13)	H34A—C34—H34B	109.5
O7—Ce1—O3	95.26 (13)	O8—C34—H34C	109.5
O1—Ce1—O3	152.33 (13)	H34A—C34—H34C	109.5
O7—Ce1—O5	152.14 (13)	H34B—C34—H34C	109.5
O1—Ce1—O5	97.07 (13)	N3—C35—C36	110.5 (5)
O3—Ce1—O5	90.74 (14)	N3—C35—H35A	109.5
O7—Ce1—N2	74.09 (14)	C36—C35—H35A	109.5
O1—Ce1—N2	135.21 (13)	N3—C35—H35B	109.5
O3—Ce1—N2	72.09 (13)	C36—C35—H35B	109.5
O5—Ce1—N2	82.02 (14)	H35A—C35—H35B	108.1
O7—Ce1—N3	135.11 (13)	N4—C36—C35	109.0 (5)
O1—Ce1—N3	74.26 (13)	N4—C36—H36A	109.9
O3—Ce1—N3	82.95 (13)	C35—C36—H36A	109.9
O5—Ce1—N3	72.61 (13)	N4—C36—H36B	109.9
N2—Ce1—N3	144.02 (14)	C35—C36—H36B	109.9
O7—Ce1—N1	85.03 (14)	H36A—C36—H36B	108.3
O1—Ce1—N1	71.49 (13)	N5—C37—C38	109.8 (4)
O3—Ce1—N1	135.96 (13)	N5—C37—H37A	109.7
O5—Ce1—N1	72.00 (14)	C38—C37—H37A	109.7
N2—Ce1—N1	65.68 (13)	N5—C37—H37B	109.7
N3—Ce1—N1	126.26 (14)	C38—C37—H37B	109.7
O7—Ce1—N4	71.10 (14)	H37A—C37—H37B	108.2
O1—Ce1—N4	82.83 (13)	C39—C38—C43	119.0 (6)
O3—Ce1—N4	73.41 (13)	C39—C38—C37	118.9 (6)
O5—Ce1—N4	136.41 (14)	C43—C38—C37	122.0 (6)
N2—Ce1—N4	127.55 (14)	O9—C39—C38	120.5 (5)
N3—Ce1—N4	65.42 (14)	O9—C39—C40	120.2 (5)
N1—Ce1—N4	144.83 (13)	C38—C39—C40	119.4 (6)
O9—Ce2—O11	148.12 (12)	C41—C40—O10	125.2 (5)
O9—Ce2—O13	100.10 (13)	C41—C40—C39	120.1 (6)
O11—Ce2—O13	91.16 (13)	O10—C40—C39	114.8 (5)
O9—Ce2—O15	93.04 (13)	C40—C41—C42	120.7 (6)
O11—Ce2—O15	92.82 (13)	C40—C41—H41	119.6
O13—Ce2—O15	148.00 (12)	C42—C41—H41	119.6
O9—Ce2—N7	74.30 (13)	C41—C42—C43	120.5 (7)
O11—Ce2—N7	80.58 (13)	C41—C42—H42	119.8
O13—Ce2—N7	73.62 (12)	C43—C42—H42	119.8
O15—Ce2—N7	138.32 (12)	C42—C43—C38	120.4 (6)
O9—Ce2—N5	73.04 (13)	C42—C43—H43	119.8
O11—Ce2—N5	138.82 (12)	C38—C43—H43	119.8
O13—Ce2—N5	73.42 (13)	O10—C44—H44A	109.5
O15—Ce2—N5	82.92 (13)	O10—C44—H44B	109.5
N7—Ce2—N5	127.81 (13)	H44A—C44—H44B	109.5
O9—Ce2—N8	79.04 (13)	O10—C44—H44C	109.5
O11—Ce2—N8	73.19 (13)	H44A—C44—H44C	109.5
O13—Ce2—N8	139.35 (12)	H44B—C44—H44C	109.5
O15—Ce2—N8	71.67 (12)	C46—C45—N6	109.8 (4)
N7—Ce2—N8	67.01 (12)	C46—C45—H45A	109.7
N5—Ce2—N8	140.90 (12)	N6—C45—H45A	109.7
O9—Ce2—N6	138.54 (13)	C46—C45—H45B	109.7
O11—Ce2—N6	72.76 (13)	N6—C45—H45B	109.7
O13—Ce2—N6	78.85 (13)	H45A—C45—H45B	108.2
O15—Ce2—N6	72.12 (12)	C51—C46—C47	119.2 (6)
N7—Ce2—N6	140.96 (13)	C51—C46—C45	122.0 (5)
N5—Ce2—N6	66.94 (13)	C47—C46—C45	118.7 (5)
N8—Ce2—N6	128.06 (13)	O11—C47—C48	119.7 (5)
O17—Ce3—O19	151.35 (13)	O11—C47—C46	121.5 (5)
O17—Ce3—O21	96.39 (14)	C48—C47—C46	118.7 (5)
O19—Ce3—O21	91.00 (13)	O12—C48—C49	123.9 (6)
O17—Ce3—O23	88.69 (13)	O12—C48—C47	115.2 (5)
O19—Ce3—O23	98.41 (13)	C49—C48—C47	120.9 (5)
O21—Ce3—O23	150.38 (12)	C50—C49—C48	119.3 (6)
O17—Ce3—N10	136.33 (13)	C50—C49—H49	120.3
O19—Ce3—N10	71.93 (13)	C48—C49—H49	120.3
O21—Ce3—N10	83.52 (14)	C51—C50—C49	120.5 (6)
O23—Ce3—N10	73.02 (13)	C51—C50—H50	119.7
O17—Ce3—N11	73.53 (13)	C49—C50—H50	119.7
O19—Ce3—N11	82.39 (14)	C50—C51—C46	121.2 (6)
O21—Ce3—N11	72.87 (13)	C50—C51—H51	119.4
O23—Ce3—N11	136.06 (12)	C46—C51—H51	119.4
N10—Ce3—N11	144.67 (13)	O12—C52—H52A	109.5
O17—Ce3—N12	82.96 (14)	O12—C52—H52B	109.5
O19—Ce3—N12	72.89 (13)	H52A—C52—H52B	109.5
O21—Ce3—N12	136.68 (13)	O12—C52—H52C	109.5
O23—Ce3—N12	72.86 (13)	H52A—C52—H52C	109.5
N10—Ce3—N12	125.76 (14)	H52B—C52—H52C	109.5
N11—Ce3—N12	65.42 (13)	N5—C53—C54	109.7 (4)
O17—Ce3—N9	72.05 (14)	N5—C53—H53A	109.7
O19—Ce3—N9	136.34 (14)	C54—C53—H53A	109.7
O21—Ce3—N9	72.57 (13)	N5—C53—H53B	109.7
O23—Ce3—N9	81.44 (13)	C54—C53—H53B	109.7
N10—Ce3—N9	66.30 (14)	H53A—C53—H53B	108.2
N11—Ce3—N9	127.18 (14)	N6—C54—C53	110.6 (4)
N12—Ce3—N9	144.39 (13)	N6—C54—H54A	109.5
C1—N1—C17	110.4 (4)	C53—C54—H54A	109.5
C1—N1—Ce1	117.9 (3)	N6—C54—H54B	109.5
C17—N1—Ce1	112.7 (3)	C53—C54—H54B	109.5
C1—N1—H1	104.8	H54A—C54—H54B	108.1
C17—N1—H1	104.8	N7—C55—C56	110.5 (4)
Ce1—N1—H1	104.8	N7—C55—H55A	109.5
C9—N2—C18	111.1 (4)	C56—C55—H55A	109.5
C9—N2—Ce1	116.2 (3)	N7—C55—H55B	109.5
C18—N2—Ce1	114.4 (3)	C56—C55—H55B	109.5
C9—N2—H2	104.5	H55A—C55—H55B	108.1
C18—N2—H2	104.5	C61—C56—C57	118.9 (6)
Ce1—N2—H2	104.5	C61—C56—C55	122.7 (5)
C19—N3—C35	112.6 (4)	C57—C56—C55	118.3 (5)
C19—N3—Ce1	115.9 (3)	O13—C57—C56	120.4 (5)
C35—N3—Ce1	113.1 (3)	O13—C57—C58	119.5 (5)
C19—N3—H3	104.6	C56—C57—C58	120.0 (5)
C35—N3—H3	104.6	C59—C58—O14	125.5 (6)
Ce1—N3—H3	104.6	C59—C58—C57	119.3 (6)
C36—N4—C27	111.6 (4)	O14—C58—C57	115.2 (5)
C36—N4—Ce1	113.4 (3)	C58—C59—C60	121.1 (6)
C27—N4—Ce1	117.7 (3)	C58—C59—H59	119.5
C36—N4—H4	104.1	C60—C59—H59	119.5
C27—N4—H4	104.1	C61—C60—C59	119.4 (6)
Ce1—N4—H4	104.1	C61—C60—H60	120.3
C53—N5—C37	114.1 (4)	C59—C60—H60	120.3
C53—N5—Ce2	111.3 (3)	C60—C61—C56	121.4 (6)
C37—N5—Ce2	116.1 (3)	C60—C61—H61	119.3
C53—N5—H5	104.7	C56—C61—H61	119.3
C37—N5—H5	104.7	O14—C62—H62A	109.5
Ce2—N5—H5	104.7	O14—C62—H62B	109.5
C54—N6—C45	113.7 (4)	H62A—C62—H62B	109.5
C54—N6—Ce2	111.2 (3)	O14—C62—H62C	109.5
C45—N6—Ce2	115.1 (3)	H62A—C62—H62C	109.5
C54—N6—H6	105.3	H62B—C62—H62C	109.5
C45—N6—H6	105.3	N8—C63—C64	109.1 (4)
Ce2—N6—H6	105.3	N8—C63—H63A	109.9
C71—N7—C55	113.6 (4)	C64—C63—H63A	109.9
C71—N7—Ce2	111.6 (3)	N8—C63—H63B	109.9
C55—N7—Ce2	114.9 (3)	C64—C63—H63B	109.9
C71—N7—H7	105.2	H63A—C63—H63B	108.3
C55—N7—H7	105.2	C69—C64—C65	120.6 (5)
Ce2—N7—H7	105.2	C69—C64—C63	121.6 (5)
C63—N8—C72	112.2 (4)	C65—C64—C63	117.7 (5)
C63—N8—Ce2	115.2 (3)	O15—C65—C64	122.2 (5)
C72—N8—Ce2	111.9 (3)	O15—C65—C66	119.8 (5)
C63—N8—H8	105.6	C64—C65—C66	118.0 (5)
C72—N8—H8	105.6	C67—C66—O16	124.7 (5)
Ce2—N8—H8	105.6	C67—C66—C65	120.4 (5)
C73—N9—C89	113.1 (4)	O16—C66—C65	114.9 (5)
C73—N9—Ce3	115.9 (3)	C66—C67—C68	120.0 (6)
C89—N9—Ce3	112.3 (3)	C66—C67—H67	120.0
C73—N9—H9	104.7	C68—C67—H67	120.0
C89—N9—H9	104.7	C69—C68—C67	121.1 (6)
Ce3—N9—H9	104.7	C69—C68—H68	119.5
C81—N10—C90	112.3 (4)	C67—C68—H68	119.5
C81—N10—Ce3	117.9 (3)	C68—C69—C64	119.8 (6)
C90—N10—Ce3	111.9 (3)	C68—C69—H69	120.1
C81—N10—H10	104.4	C64—C69—H69	120.1
C90—N10—H10	104.4	O16—C70—H70A	109.5
Ce3—N10—H10	104.4	O16—C70—H70B	109.5
C107—N11—C91	113.4 (4)	H70A—C70—H70B	109.5
C107—N11—Ce3	113.3 (3)	O16—C70—H70C	109.5
C91—N11—Ce3	116.3 (3)	H70A—C70—H70C	109.5
C107—N11—H11	104.1	H70B—C70—H70C	109.5
C91—N11—H11	104.1	N7—C71—C72	108.4 (4)
Ce3—N11—H11	104.1	N7—C71—H71A	110.0
C108—N12—C99	112.6 (4)	C72—C71—H71A	110.0
C108—N12—Ce3	113.2 (3)	N7—C71—H71B	110.0
C99—N12—Ce3	116.1 (3)	C72—C71—H71B	110.0
C108—N12—H12	104.5	H71A—C71—H71B	108.4
C99—N12—H12	104.5	N8—C72—C71	109.3 (4)
Ce3—N12—H12	104.5	N8—C72—H72A	109.8
C3—O1—Ce1	133.4 (3)	C71—C72—H72A	109.8
C4—O2—C8	118.6 (5)	N8—C72—H72B	109.8
C11—O3—Ce1	132.9 (4)	C71—C72—H72B	109.8
C12—O4—C16	119.0 (6)	H72A—C72—H72B	108.3
C21—O5—Ce1	131.2 (3)	N9—C73—C74	111.1 (5)
C22—O6—C26	117.3 (5)	N9—C73—H73A	109.4
C29—O7—Ce1	136.9 (3)	C74—C73—H73A	109.4
C30—O8—C34	117.1 (6)	N9—C73—H73B	109.4
C39—O9—Ce2	130.0 (3)	C74—C73—H73B	109.4
C40—O10—C44	118.0 (5)	H73A—C73—H73B	108.0
C47—O11—Ce2	132.6 (3)	C79—C74—C75	119.3 (7)
C48—O12—C52	118.6 (4)	C79—C74—C73	123.2 (6)
C57—O13—Ce2	129.8 (3)	C75—C74—C73	117.5 (5)
C58—O14—C62	117.5 (5)	O17—C75—C76	119.8 (6)
C65—O15—Ce2	135.3 (3)	O17—C75—C74	120.8 (6)
C66—O16—C70	117.0 (5)	C76—C75—C74	119.4 (6)
C75—O17—Ce3	132.2 (3)	O18—C76—C77	125.3 (7)
C76—O18—C80	119.0 (5)	O18—C76—C75	114.3 (6)
C83—O19—Ce3	131.9 (3)	C77—C76—C75	120.4 (6)
C84—O20—C88	118.9 (6)	C78—C77—C76	119.3 (7)
C93—O21—Ce3	130.8 (3)	C78—C77—H77	120.3
C94—O22—C98	117.6 (6)	C76—C77—H77	120.3
C101—O23—Ce3	130.3 (3)	C79—C78—C77	121.9 (7)
C102—O24—C06B	120.5 (10)	C79—C78—H78	119.1
C102—O24—C06A	116.7 (7)	C77—C78—H78	119.1
C06B—O24—C06A	34.6 (9)	C78—C79—C74	119.7 (7)
N1—C1—C2	111.9 (5)	C78—C79—H79	120.2
N1—C1—H1A	109.2	C74—C79—H79	120.2
C2—C1—H1A	109.2	O18—C80—H80A	109.5
N1—C1—H1B	109.2	O18—C80—H80B	109.5
C2—C1—H1B	109.2	H80A—C80—H80B	109.5
H1A—C1—H1B	107.9	O18—C80—H80C	109.5
C3—C2—C7	120.9 (6)	H80A—C80—H80C	109.5
C3—C2—C1	118.1 (5)	H80B—C80—H80C	109.5
C7—C2—C1	121.0 (6)	N10—C81—C82	112.0 (5)
O1—C3—C2	121.8 (5)	N10—C81—H81A	109.2
O1—C3—C4	118.6 (5)	C82—C81—H81A	109.2
C2—C3—C4	119.6 (6)	N10—C81—H81B	109.2
O2—C4—C5	125.5 (6)	C82—C81—H81B	109.2
O2—C4—C3	115.7 (5)	H81A—C81—H81B	107.9
C5—C4—C3	118.8 (7)	C83—C82—C87	120.8 (6)
C6—C5—C4	120.4 (7)	C83—C82—C81	117.9 (6)
C6—C5—H5A	119.8	C87—C82—C81	121.3 (6)
C4—C5—H5A	119.8	O19—C83—C82	121.5 (6)
C5—C6—C7	121.0 (7)	O19—C83—C84	119.9 (6)
C5—C6—H6A	119.5	C82—C83—C84	118.6 (7)
C7—C6—H6A	119.5	O20—C84—C85	125.0 (6)
C6—C7—C2	119.3 (7)	O20—C84—C83	114.9 (6)
C6—C7—H7A	120.4	C85—C84—C83	120.1 (7)
C2—C7—H7A	120.4	C86—C85—C84	119.0 (7)
O2—C8—H8A	109.5	C86—C85—H85	120.5
O2—C8—H8B	109.5	C84—C85—H85	120.5
H8A—C8—H8B	109.5	C87—C86—C85	122.4 (8)
O2—C8—H8C	109.5	C87—C86—H86	118.8
H8A—C8—H8C	109.5	C85—C86—H86	118.8
H8B—C8—H8C	109.5	C86—C87—C82	119.1 (8)
N2—C9—C10	110.5 (4)	C86—C87—H87	120.4
N2—C9—H9A	109.5	C82—C87—H87	120.4
C10—C9—H9A	109.5	O20—C88—H88A	109.5
N2—C9—H9B	109.5	O20—C88—H88B	109.5
C10—C9—H9B	109.5	H88A—C88—H88B	109.5
H9A—C9—H9B	108.1	O20—C88—H88C	109.5
C15—C10—C11	121.0 (6)	H88A—C88—H88C	109.5
C15—C10—C9	121.6 (6)	H88B—C88—H88C	109.5
C11—C10—C9	117.3 (5)	C90—C89—N9	109.3 (5)
O3—C11—C10	121.1 (5)	C90—C89—H89A	109.8
O3—C11—C12	121.1 (5)	N9—C89—H89A	109.8
C10—C11—C12	117.7 (6)	C90—C89—H89B	109.8
C13—C12—O4	124.4 (6)	N9—C89—H89B	109.8
C13—C12—C11	121.3 (6)	H89A—C89—H89B	108.3
O4—C12—C11	114.3 (6)	N10—C90—C89	110.3 (4)
C12—C13—C14	119.0 (6)	N10—C90—H90A	109.6
C12—C13—H13	120.5	C89—C90—H90A	109.6
C14—C13—H13	120.5	N10—C90—H90B	109.6
C15—C14—C13	121.3 (7)	C89—C90—H90B	109.6
C15—C14—H14	119.3	H90A—C90—H90B	108.1
C13—C14—H14	119.3	N11—C91—C92	111.9 (4)
C14—C15—C10	119.6 (7)	N11—C91—H91A	109.2
C14—C15—H15	120.2	C92—C91—H91A	109.2
C10—C15—H15	120.2	N11—C91—H91B	109.2
O4—C16—H16A	109.5	C92—C91—H91B	109.2
O4—C16—H16B	109.5	H91A—C91—H91B	107.9
H16A—C16—H16B	109.5	C97—C92—C93	120.9 (6)
O4—C16—H16C	109.5	C97—C92—C91	121.4 (6)
H16A—C16—H16C	109.5	C93—C92—C91	117.7 (6)
H16B—C16—H16C	109.5	O21—C93—C92	121.1 (5)
N1—C17—C18	107.5 (5)	O21—C93—C94	120.8 (5)
N1—C17—H17A	110.2	C92—C93—C94	118.1 (6)
C18—C17—H17A	110.2	C95—C94—O22	126.2 (6)
N1—C17—H17B	110.2	C95—C94—C93	120.3 (6)
C18—C17—H17B	110.2	O22—C94—C93	113.5 (6)
H17A—C17—H17B	108.5	C94—C95—C96	120.3 (6)
N2—C18—C17	109.8 (4)	C94—C95—H95	119.9
N2—C18—H18A	109.7	C96—C95—H95	119.9
C17—C18—H18A	109.7	C97—C96—C95	120.5 (7)
N2—C18—H18B	109.7	C97—C96—H96	119.8
C17—C18—H18B	109.7	C95—C96—H96	119.8
H18A—C18—H18B	108.2	C96—C97—C92	119.9 (7)
N3—C19—C20	112.4 (4)	C96—C97—H97	120.0
N3—C19—H19A	109.1	C92—C97—H97	120.0
C20—C19—H19A	109.1	O22—C98—H98A	109.5
N3—C19—H19B	109.1	O22—C98—H98B	109.5
C20—C19—H19B	109.1	H98A—C98—H98B	109.5
H19A—C19—H19B	107.9	O22—C98—H98C	109.5
C25—C20—C21	121.4 (6)	H98A—C98—H98C	109.5
C25—C20—C19	121.9 (6)	H98B—C98—H98C	109.5
C21—C20—C19	116.7 (5)	C100—C99—N12	110.9 (4)
O5—C21—C20	121.0 (5)	C100—C99—H99A	109.5
O5—C21—C22	121.1 (5)	N12—C99—H99A	109.5
C20—C21—C22	117.9 (6)	C100—C99—H99B	109.5
C23—C22—O6	127.0 (6)	N12—C99—H99B	109.5
C23—C22—C21	120.1 (6)	H99A—C99—H99B	108.1
O6—C22—C21	112.8 (6)	C105—C100—C101	119.5 (7)
C22—C23—C24	120.9 (6)	C105—C100—C99	122.7 (6)
C22—C23—H23	119.6	C101—C100—C99	117.7 (5)
C24—C23—H23	119.6	O23—C101—C102	119.9 (6)
C23—C24—C25	120.6 (7)	O23—C101—C100	121.4 (6)
C23—C24—H24	119.7	C102—C101—C100	118.6 (6)
C25—C24—H24	119.7	O24—C102—C103	124.8 (7)
C20—C25—C24	119.1 (6)	O24—C102—C101	114.6 (6)
C20—C25—H25	120.5	C103—C102—C101	120.6 (7)
C24—C25—H25	120.5	C104—C103—C102	119.3 (7)
O6—C26—H26A	109.5	C104—C103—H103	120.3
O6—C26—H26B	109.5	C102—C103—H103	120.3
H26A—C26—H26B	109.5	C105—C104—C103	120.6 (7)
O6—C26—H26C	109.5	C105—C104—H104	119.7
H26A—C26—H26C	109.5	C103—C104—H104	119.7
H26B—C26—H26C	109.5	C104—C105—C100	121.3 (7)
N4—C27—C28	111.8 (5)	C104—C105—H105	119.3
N4—C27—H27A	109.3	C100—C105—H105	119.3
C28—C27—H27A	109.3	O24—C06A—H06A	109.5
N4—C27—H27B	109.3	O24—C06A—H06B	109.5
C28—C27—H27B	109.3	H06A—C06A—H06B	109.5
H27A—C27—H27B	107.9	O24—C06A—H06C	109.5
C33—C28—C29	118.9 (6)	H06A—C06A—H06C	109.5
C33—C28—C27	121.9 (6)	H06B—C06A—H06C	109.5
C29—C28—C27	119.2 (6)	O24—C06B—H06D	109.5
O7—C29—C30	120.9 (6)	O24—C06B—H06E	109.5
O7—C29—C28	120.6 (6)	H06D—C06B—H06E	109.5
C30—C29—C28	118.4 (6)	O24—C06B—H06F	109.5
C31—C30—O8	125.5 (7)	H06D—C06B—H06F	109.5
C31—C30—C29	121.1 (7)	H06E—C06B—H06F	109.5
O8—C30—C29	113.4 (6)	N11—C107—C108	108.8 (4)
C32—C31—C30	120.0 (7)	N11—C107—H10D	109.9
C32—C31—H31	120.0	C108—C107—H10D	109.9
C30—C31—H31	120.0	N11—C107—H10E	109.9
C33—C32—C31	120.3 (7)	C108—C107—H10E	109.9
C33—C32—H32	119.8	H10D—C107—H10E	108.3
C31—C32—H32	119.8	N12—C108—C107	108.3 (5)
C32—C33—C28	121.1 (7)	N12—C108—H10F	110.0
C32—C33—H33	119.5	C107—C108—H10F	110.0
C28—C33—H33	119.5	N12—C108—H10G	110.0
O8—C34—H34A	109.5	C107—C108—H10G	110.0
O8—C34—H34B	109.5	H10F—C108—H10G	108.4
O7—Ce1—N1—C1	74.9 (4)	C18—N2—C9—C10	−160.8 (5)
O1—Ce1—N1—C1	−16.9 (4)	Ce1—N2—C9—C10	66.1 (6)
O3—Ce1—N1—C1	167.3 (4)	N2—C9—C10—C15	117.9 (6)
O5—Ce1—N1—C1	−121.1 (4)	N2—C9—C10—C11	−59.0 (7)
N2—Ce1—N1—C1	149.7 (5)	Ce1—O3—C11—C10	62.2 (7)
N3—Ce1—N1—C1	−70.0 (5)	Ce1—O3—C11—C12	−115.8 (5)
N4—Ce1—N1—C1	28.4 (5)	C15—C10—C11—O3	−179.7 (6)
O7—Ce1—N1—C17	−55.6 (4)	C9—C10—C11—O3	−2.8 (8)
O1—Ce1—N1—C17	−147.4 (4)	C15—C10—C11—C12	−1.6 (8)
O3—Ce1—N1—C17	36.8 (5)	C9—C10—C11—C12	175.3 (5)
O5—Ce1—N1—C17	108.4 (4)	C16—O4—C12—C13	−11.0 (9)
N2—Ce1—N1—C17	19.2 (4)	C16—O4—C12—C11	170.2 (5)
N3—Ce1—N1—C17	159.5 (4)	O3—C11—C12—C13	−180.0 (6)
N4—Ce1—N1—C17	−102.1 (4)	C10—C11—C12—C13	1.9 (9)
O7—Ce1—N2—C9	−123.1 (4)	O3—C11—C12—O4	−1.1 (8)
O1—Ce1—N2—C9	163.4 (3)	C10—C11—C12—O4	−179.2 (5)
O3—Ce1—N2—C9	−22.0 (4)	O4—C12—C13—C14	179.2 (6)
O5—Ce1—N2—C9	71.4 (4)	C11—C12—C13—C14	−2.0 (10)
N3—Ce1—N2—C9	26.3 (5)	C12—C13—C14—C15	1.8 (11)
N1—Ce1—N2—C9	145.2 (4)	C13—C14—C15—C10	−1.5 (10)
N4—Ce1—N2—C9	−73.2 (4)	C11—C10—C15—C14	1.4 (9)
O7—Ce1—N2—C18	105.2 (4)	C9—C10—C15—C14	−175.4 (6)
O1—Ce1—N2—C18	31.7 (5)	C1—N1—C17—C18	177.2 (5)
O3—Ce1—N2—C18	−153.7 (4)	Ce1—N1—C17—C18	−48.6 (6)
O5—Ce1—N2—C18	−60.3 (4)	C9—N2—C18—C17	−178.6 (5)
N3—Ce1—N2—C18	−105.3 (4)	Ce1—N2—C18—C17	−44.6 (6)
N1—Ce1—N2—C18	13.5 (4)	N1—C17—C18—N2	61.7 (7)
N4—Ce1—N2—C18	155.1 (4)	C35—N3—C19—C20	−163.7 (5)
O7—Ce1—N3—C19	165.2 (3)	Ce1—N3—C19—C20	63.9 (5)
O1—Ce1—N3—C19	−121.1 (4)	N3—C19—C20—C25	116.1 (6)
O3—Ce1—N3—C19	74.8 (4)	N3—C19—C20—C21	−60.1 (6)
O5—Ce1—N3—C19	−18.2 (3)	Ce1—O5—C21—C20	63.6 (7)
N2—Ce1—N3—C19	29.0 (5)	Ce1—O5—C21—C22	−114.5 (5)
N1—Ce1—N3—C19	−69.1 (4)	C25—C20—C21—O5	−178.6 (5)
N4—Ce1—N3—C19	149.7 (4)	C19—C20—C21—O5	−2.3 (7)
O7—Ce1—N3—C35	33.0 (4)	C25—C20—C21—C22	−0.5 (8)
O1—Ce1—N3—C35	106.7 (4)	C19—C20—C21—C22	175.8 (4)
O3—Ce1—N3—C35	−57.4 (3)	C26—O6—C22—C23	−11.0 (8)
O5—Ce1—N3—C35	−150.4 (4)	C26—O6—C22—C21	170.6 (4)
N2—Ce1—N3—C35	−103.2 (4)	O5—C21—C22—C23	179.9 (5)
N1—Ce1—N3—C35	158.7 (3)	C20—C21—C22—C23	1.8 (8)
N4—Ce1—N3—C35	17.5 (3)	O5—C21—C22—O6	−1.6 (7)
O7—Ce1—N4—C36	−154.6 (4)	C20—C21—C22—O6	−179.8 (4)
O1—Ce1—N4—C36	−62.0 (4)	O6—C22—C23—C24	−179.8 (5)
O3—Ce1—N4—C36	103.7 (4)	C21—C22—C23—C24	−1.6 (9)
O5—Ce1—N4—C36	30.7 (4)	C22—C23—C24—C25	0.1 (9)
N2—Ce1—N4—C36	154.4 (3)	C21—C20—C25—C24	−1.0 (8)
N3—Ce1—N4—C36	13.9 (3)	C19—C20—C25—C24	−177.0 (5)
N1—Ce1—N4—C36	−104.7 (4)	C23—C24—C25—C20	1.2 (9)
O7—Ce1—N4—C27	−21.8 (4)	C36—N4—C27—C28	−164.1 (5)
O1—Ce1—N4—C27	70.8 (4)	Ce1—N4—C27—C28	62.3 (5)
O3—Ce1—N4—C27	−123.5 (4)	N4—C27—C28—C33	124.8 (6)
O5—Ce1—N4—C27	163.6 (4)	N4—C27—C28—C29	−55.0 (7)
N2—Ce1—N4—C27	−72.8 (4)	Ce1—O7—C29—C30	−119.9 (6)
N3—Ce1—N4—C27	146.8 (4)	Ce1—O7—C29—C28	58.9 (7)
N1—Ce1—N4—C27	28.1 (5)	C33—C28—C29—O7	178.6 (5)
O9—Ce2—N5—C53	151.8 (3)	C27—C28—C29—O7	−1.6 (8)
O11—Ce2—N5—C53	−29.7 (4)	C33—C28—C29—C30	−2.6 (8)
O13—Ce2—N5—C53	−101.8 (3)	C27—C28—C29—C30	177.2 (5)
O15—Ce2—N5—C53	56.4 (3)	C34—O8—C30—C31	−11.1 (9)
N7—Ce2—N5—C53	−154.7 (3)	C34—O8—C30—C29	169.7 (6)
N8—Ce2—N5—C53	105.5 (3)	O7—C29—C30—C31	−177.5 (5)
N6—Ce2—N5—C53	−17.1 (3)	C28—C29—C30—C31	3.7 (9)
O9—Ce2—N5—C37	19.1 (3)	O7—C29—C30—O8	1.7 (8)
O11—Ce2—N5—C37	−162.5 (3)	C28—C29—C30—O8	−177.1 (5)
O13—Ce2—N5—C37	125.5 (3)	O8—C30—C31—C32	178.0 (6)
O15—Ce2—N5—C37	−76.3 (3)	C29—C30—C31—C32	−2.8 (10)
N7—Ce2—N5—C37	72.6 (4)	C30—C31—C32—C33	0.9 (11)
N8—Ce2—N5—C37	−27.2 (4)	C31—C32—C33—C28	0.1 (11)
N6—Ce2—N5—C37	−149.8 (4)	C29—C28—C33—C32	0.8 (9)
O9—Ce2—N6—C54	−31.1 (4)	C27—C28—C33—C32	−179.1 (6)
O11—Ce2—N6—C54	156.3 (3)	C19—N3—C35—C36	178.2 (5)
O13—Ce2—N6—C54	61.6 (3)	Ce1—N3—C35—C36	−48.1 (6)
O15—Ce2—N6—C54	−104.8 (3)	C27—N4—C36—C35	−179.1 (5)
N7—Ce2—N6—C54	107.2 (4)	Ce1—N4—C36—C35	−43.4 (6)
N5—Ce2—N6—C54	−15.0 (3)	N3—C35—C36—N4	61.2 (7)
N8—Ce2—N6—C54	−152.5 (3)	C53—N5—C37—C38	164.9 (5)
O9—Ce2—N6—C45	−162.1 (3)	Ce2—N5—C37—C38	−63.7 (5)
O11—Ce2—N6—C45	25.3 (3)	N5—C37—C38—C39	60.1 (7)
O13—Ce2—N6—C45	−69.4 (4)	N5—C37—C38—C43	−117.5 (6)
O15—Ce2—N6—C45	124.2 (4)	Ce2—O9—C39—C38	−64.4 (6)
N7—Ce2—N6—C45	−23.8 (5)	Ce2—O9—C39—C40	114.2 (5)
N5—Ce2—N6—C45	−146.0 (4)	C43—C38—C39—O9	−179.8 (5)
N8—Ce2—N6—C45	76.4 (4)	C37—C38—C39—O9	2.7 (8)
O9—Ce2—N7—C71	−103.9 (3)	C43—C38—C39—C40	1.7 (8)
O11—Ce2—N7—C71	56.2 (3)	C37—C38—C39—C40	−175.9 (5)
O13—Ce2—N7—C71	150.2 (4)	C44—O10—C40—C41	13.2 (8)
O15—Ce2—N7—C71	−27.4 (4)	C44—O10—C40—C39	−166.3 (4)
N5—Ce2—N7—C71	−157.0 (3)	O9—C39—C40—C41	−179.8 (5)
N8—Ce2—N7—C71	−19.4 (3)	C38—C39—C40—C41	−1.2 (8)
N6—Ce2—N7—C71	103.3 (4)	O9—C39—C40—O10	−0.3 (7)
O9—Ce2—N7—C55	124.9 (4)	C38—C39—C40—O10	178.3 (5)
O11—Ce2—N7—C55	−74.9 (4)	O10—C40—C41—C42	−179.4 (5)
O13—Ce2—N7—C55	19.1 (3)	C39—C40—C41—C42	0.0 (9)
O15—Ce2—N7—C55	−158.6 (3)	C40—C41—C42—C43	0.8 (10)
N5—Ce2—N7—C55	71.9 (4)	C41—C42—C43—C38	−0.3 (9)
N8—Ce2—N7—C55	−150.6 (4)	C39—C38—C43—C42	−0.9 (9)
N6—Ce2—N7—C55	−27.9 (5)	C37—C38—C43—C42	176.6 (5)
O9—Ce2—N8—C63	−66.0 (3)	C54—N6—C45—C46	162.5 (4)
O11—Ce2—N8—C63	129.9 (4)	Ce2—N6—C45—C46	−67.7 (5)
O13—Ce2—N8—C63	−158.8 (3)	N6—C45—C46—C51	−118.5 (6)
O15—Ce2—N8—C63	31.0 (3)	N6—C45—C46—C47	57.5 (7)
N7—Ce2—N8—C63	−143.4 (4)	Ce2—O11—C47—C48	117.4 (5)
N5—Ce2—N8—C63	−21.2 (4)	Ce2—O11—C47—C46	−60.9 (7)
N6—Ce2—N8—C63	78.9 (4)	C51—C46—C47—O11	−178.4 (5)
O9—Ce2—N8—C72	63.7 (3)	C45—C46—C47—O11	5.5 (8)
O11—Ce2—N8—C72	−100.5 (3)	C51—C46—C47—C48	3.3 (8)
O13—Ce2—N8—C72	−29.1 (4)	C45—C46—C47—C48	−172.8 (5)
O15—Ce2—N8—C72	160.6 (4)	C52—O12—C48—C49	14.1 (8)
N7—Ce2—N8—C72	−13.8 (3)	C52—O12—C48—C47	−165.8 (5)
N5—Ce2—N8—C72	108.5 (3)	O11—C47—C48—O12	−1.4 (7)
N6—Ce2—N8—C72	−151.4 (3)	C46—C47—C48—O12	176.9 (5)
O17—Ce3—N9—C73	−20.3 (4)	O11—C47—C48—C49	178.7 (5)
O19—Ce3—N9—C73	164.3 (4)	C46—C47—C48—C49	−3.0 (8)
O21—Ce3—N9—C73	−123.3 (4)	O12—C48—C49—C50	−177.8 (5)
O23—Ce3—N9—C73	71.1 (4)	C47—C48—C49—C50	2.1 (9)
N10—Ce3—N9—C73	146.2 (4)	C48—C49—C50—C51	−1.5 (9)
N11—Ce3—N9—C73	−72.0 (4)	C49—C50—C51—C46	2.0 (10)
N12—Ce3—N9—C73	27.3 (5)	C47—C46—C51—C50	−2.9 (9)
O17—Ce3—N9—C89	−152.5 (4)	C45—C46—C51—C50	173.1 (6)
O19—Ce3—N9—C89	32.2 (4)	C37—N5—C53—C54	−179.0 (5)
O21—Ce3—N9—C89	104.6 (4)	Ce2—N5—C53—C54	47.3 (5)
O23—Ce3—N9—C89	−61.1 (3)	C45—N6—C54—C53	177.4 (4)
N10—Ce3—N9—C89	14.1 (3)	Ce2—N6—C54—C53	45.7 (5)
N11—Ce3—N9—C89	155.8 (3)	N5—C53—C54—N6	−64.0 (6)
N12—Ce3—N9—C89	−104.8 (4)	C71—N7—C55—C56	164.9 (4)
O17—Ce3—N10—C81	168.6 (3)	Ce2—N7—C55—C56	−65.0 (5)
O19—Ce3—N10—C81	−17.1 (4)	N7—C55—C56—C61	−113.6 (6)
O21—Ce3—N10—C81	76.1 (4)	N7—C55—C56—C57	62.0 (6)
O23—Ce3—N10—C81	−122.2 (4)	Ce2—O13—C57—C56	−63.1 (6)
N11—Ce3—N10—C81	28.4 (5)	Ce2—O13—C57—C58	114.7 (5)
N12—Ce3—N10—C81	−69.0 (4)	C61—C56—C57—O13	177.3 (5)
N9—Ce3—N10—C81	149.9 (4)	C55—C56—C57—O13	1.5 (8)
O17—Ce3—N10—C90	36.2 (4)	C61—C56—C57—C58	−0.4 (8)
O19—Ce3—N10—C90	−149.4 (4)	C55—C56—C57—C58	−176.2 (5)
O21—Ce3—N10—C90	−56.3 (3)	C62—O14—C58—C59	12.6 (8)
O23—Ce3—N10—C90	105.4 (3)	C62—O14—C58—C57	−166.6 (5)
N11—Ce3—N10—C90	−104.0 (4)	O13—C57—C58—C59	−178.1 (5)
N12—Ce3—N10—C90	158.6 (3)	C56—C57—C58—C59	−0.3 (8)
N9—Ce3—N10—C90	17.5 (3)	O13—C57—C58—O14	1.2 (7)
O17—Ce3—N11—C107	106.3 (4)	C56—C57—C58—O14	178.9 (5)
O19—Ce3—N11—C107	−58.0 (4)	O14—C58—C59—C60	−179.1 (5)
O21—Ce3—N11—C107	−151.4 (4)	C57—C58—C59—C60	0.0 (8)
O23—Ce3—N11—C107	36.2 (4)	C58—C59—C60—C61	1.0 (9)
N10—Ce3—N11—C107	−101.2 (4)	C59—C60—C61—C56	−1.8 (9)
N12—Ce3—N11—C107	16.6 (3)	C57—C56—C61—C60	1.5 (8)
N9—Ce3—N11—C107	157.4 (3)	C55—C56—C61—C60	177.1 (5)
O17—Ce3—N11—C91	−119.8 (4)	C72—N8—C63—C64	159.2 (5)
O19—Ce3—N11—C91	75.9 (3)	Ce2—N8—C63—C64	−71.3 (5)
O21—Ce3—N11—C91	−17.6 (3)	N8—C63—C64—C69	−120.5 (6)
O23—Ce3—N11—C91	170.1 (3)	N8—C63—C64—C65	55.6 (7)
N10—Ce3—N11—C91	32.7 (5)	Ce2—O15—C65—C64	−57.6 (7)
N12—Ce3—N11—C91	150.5 (4)	Ce2—O15—C65—C66	122.6 (5)
N9—Ce3—N11—C91	−68.7 (4)	C69—C64—C65—O15	−176.9 (5)
O17—Ce3—N12—C108	−58.4 (4)	C63—C64—C65—O15	7.0 (8)
O19—Ce3—N12—C108	106.0 (4)	C69—C64—C65—C66	2.9 (8)
O21—Ce3—N12—C108	33.5 (4)	C63—C64—C65—C66	−173.3 (5)
O23—Ce3—N12—C108	−149.2 (4)	C70—O16—C66—C67	9.9 (8)
N10—Ce3—N12—C108	157.6 (3)	C70—O16—C66—C65	−169.3 (5)
N11—Ce3—N12—C108	16.7 (3)	O15—C65—C66—C67	177.2 (5)
N9—Ce3—N12—C108	−103.5 (4)	C64—C65—C66—C67	−2.6 (9)
O17—Ce3—N12—C99	74.1 (4)	O15—C65—C66—O16	−3.6 (8)
O19—Ce3—N12—C99	−121.5 (4)	C64—C65—C66—O16	176.7 (5)
O21—Ce3—N12—C99	165.9 (3)	O16—C66—C67—C68	−178.6 (5)
O23—Ce3—N12—C99	−16.7 (4)	C65—C66—C67—C68	0.6 (9)
N10—Ce3—N12—C99	−70.0 (4)	C66—C67—C68—C69	1.2 (10)
N11—Ce3—N12—C99	149.1 (4)	C67—C68—C69—C64	−1.0 (10)
N9—Ce3—N12—C99	28.9 (5)	C65—C64—C69—C68	−1.2 (9)
O7—Ce1—O1—C3	−128.4 (5)	C63—C64—C69—C68	174.8 (5)
O3—Ce1—O1—C3	130.0 (5)	C55—N7—C71—C72	−178.0 (4)
O5—Ce1—O1—C3	24.7 (5)	Ce2—N7—C71—C72	50.2 (5)
N2—Ce1—O1—C3	−61.1 (5)	C63—N8—C72—C71	176.2 (5)
N3—Ce1—O1—C3	94.3 (5)	Ce2—N8—C72—C71	44.9 (5)
N1—Ce1—O1—C3	−43.6 (5)	N7—C71—C72—N8	−64.4 (6)
N4—Ce1—O1—C3	160.7 (5)	C89—N9—C73—C74	−163.1 (5)
O7—Ce1—O3—C11	30.6 (5)	Ce3—N9—C73—C74	65.2 (6)
O1—Ce1—O3—C11	131.0 (5)	N9—C73—C74—C79	119.0 (6)
O5—Ce1—O3—C11	−122.1 (5)	N9—C73—C74—C75	−59.5 (7)
N2—Ce1—O3—C11	−40.8 (5)	Ce3—O17—C75—C76	−116.5 (5)
N3—Ce1—O3—C11	165.5 (5)	Ce3—O17—C75—C74	63.6 (6)
N1—Ce1—O3—C11	−57.7 (5)	C79—C74—C75—O17	178.7 (5)
N4—Ce1—O3—C11	99.1 (5)	C73—C74—C75—O17	−2.7 (8)
O7—Ce1—O5—C21	131.0 (4)	C79—C74—C75—C76	−1.1 (8)
O1—Ce1—O5—C21	27.2 (5)	C73—C74—C75—C76	177.4 (5)
O3—Ce1—O5—C21	−126.2 (4)	C80—O18—C76—C77	−4.5 (8)
N2—Ce1—O5—C21	162.0 (5)	C80—O18—C76—C75	175.2 (5)
N3—Ce1—O5—C21	−43.8 (4)	O17—C75—C76—O18	1.3 (8)
N1—Ce1—O5—C21	95.1 (5)	C74—C75—C76—O18	−178.8 (5)
N4—Ce1—O5—C21	−59.8 (5)	O17—C75—C76—C77	−179.0 (5)
O1—Ce1—O7—C29	−121.3 (5)	C74—C75—C76—C77	0.9 (9)
O3—Ce1—O7—C29	31.5 (5)	O18—C76—C77—C78	179.1 (6)
O5—Ce1—O7—C29	133.2 (5)	C75—C76—C77—C78	−0.6 (9)
N2—Ce1—O7—C29	101.2 (5)	C76—C77—C78—C79	0.5 (11)
N3—Ce1—O7—C29	−53.8 (6)	C77—C78—C79—C74	−0.8 (11)
N1—Ce1—O7—C29	167.3 (5)	C75—C74—C79—C78	1.1 (10)
N4—Ce1—O7—C29	−38.9 (5)	C73—C74—C79—C78	−177.4 (6)
O11—Ce2—O9—C39	−134.4 (4)	C90—N10—C81—C82	−167.0 (5)
O13—Ce2—O9—C39	−25.4 (4)	Ce3—N10—C81—C82	60.7 (6)
O15—Ce2—O9—C39	125.3 (4)	N10—C81—C82—C83	−56.7 (7)
N7—Ce2—O9—C39	−95.1 (4)	N10—C81—C82—C87	120.4 (6)
N5—Ce2—O9—C39	43.6 (4)	Ce3—O19—C83—C82	63.9 (7)
N8—Ce2—O9—C39	−164.1 (4)	Ce3—O19—C83—C84	−115.9 (5)
N6—Ce2—O9—C39	59.1 (5)	C87—C82—C83—O19	−179.8 (5)
O9—Ce2—O11—C47	−134.0 (4)	C81—C82—C83—O19	−2.7 (8)
O13—Ce2—O11—C47	114.6 (4)	C87—C82—C83—C84	0.0 (9)
O15—Ce2—O11—C47	−33.6 (4)	C81—C82—C83—C84	177.1 (5)
N7—Ce2—O11—C47	−172.2 (5)	C88—O20—C84—C85	−6.8 (9)
N5—Ce2—O11—C47	48.8 (5)	C88—O20—C84—C83	174.3 (5)
N8—Ce2—O11—C47	−103.5 (4)	O19—C83—C84—O20	−0.1 (8)
N6—Ce2—O11—C47	36.6 (4)	C82—C83—C84—O20	−179.9 (5)
O9—Ce2—O13—C57	−27.3 (5)	O19—C83—C84—C85	−179.1 (5)
O11—Ce2—O13—C57	122.8 (5)	C82—C83—C84—C85	1.1 (9)
O15—Ce2—O13—C57	−140.0 (4)	O20—C84—C85—C86	179.4 (6)
N7—Ce2—O13—C57	42.9 (4)	C83—C84—C85—C86	−1.7 (10)
N5—Ce2—O13—C57	−96.0 (5)	C84—C85—C86—C87	1.3 (11)
N8—Ce2—O13—C57	57.6 (5)	C85—C86—C87—C82	−0.2 (11)
N6—Ce2—O13—C57	−165.1 (5)	C83—C82—C87—C86	−0.4 (10)
O9—Ce2—O15—C65	109.0 (5)	C81—C82—C87—C86	−177.4 (6)
O11—Ce2—O15—C65	−39.7 (5)	C73—N9—C89—C90	−178.0 (5)
O13—Ce2—O15—C65	−136.4 (4)	Ce3—N9—C89—C90	−44.5 (5)
N7—Ce2—O15—C65	39.3 (6)	C81—N10—C90—C89	176.2 (5)
N5—Ce2—O15—C65	−178.5 (5)	Ce3—N10—C90—C89	−48.6 (5)
N8—Ce2—O15—C65	31.6 (5)	N9—C89—C90—N10	62.9 (6)
N6—Ce2—O15—C65	−110.5 (5)	C107—N11—C91—C92	−163.7 (5)
O19—Ce3—O17—C75	130.9 (5)	Ce3—N11—C91—C92	62.4 (6)
O21—Ce3—O17—C75	26.9 (5)	N11—C91—C92—C97	118.9 (6)
O23—Ce3—O17—C75	−123.8 (5)	N11—C91—C92—C93	−59.2 (7)
N10—Ce3—O17—C75	−60.4 (5)	Ce3—O21—C93—C92	63.9 (7)
N11—Ce3—O17—C75	96.9 (5)	Ce3—O21—C93—C94	−118.3 (5)
N12—Ce3—O17—C75	163.3 (5)	C97—C92—C93—O21	179.5 (5)
N9—Ce3—O17—C75	−42.4 (5)	C91—C92—C93—O21	−2.5 (8)
O17—Ce3—O19—C83	128.0 (5)	C97—C92—C93—C94	1.6 (8)
O21—Ce3—O19—C83	−126.6 (5)	C91—C92—C93—C94	179.6 (5)
O23—Ce3—O19—C83	25.2 (5)	C98—O22—C94—C95	−5.0 (10)
N10—Ce3—O19—C83	−43.8 (5)	C98—O22—C94—C93	175.9 (5)
N11—Ce3—O19—C83	160.8 (5)	O21—C93—C94—C95	−177.8 (5)
N12—Ce3—O19—C83	94.2 (5)	C92—C93—C94—C95	0.1 (9)
N9—Ce3—O19—C83	−61.2 (5)	O21—C93—C94—O22	1.4 (8)
O17—Ce3—O21—C93	26.6 (4)	C92—C93—C94—O22	179.3 (5)
O19—Ce3—O21—C93	−125.7 (4)	O22—C94—C95—C96	−179.9 (6)
O23—Ce3—O21—C93	125.2 (4)	C93—C94—C95—C96	−0.8 (10)
N10—Ce3—O21—C93	162.6 (4)	C94—C95—C96—C97	−0.1 (10)
N11—Ce3—O21—C93	−44.0 (4)	C95—C96—C97—C92	1.8 (9)
N12—Ce3—O21—C93	−59.9 (5)	C93—C92—C97—C96	−2.5 (9)
N9—Ce3—O21—C93	95.5 (4)	C91—C92—C97—C96	179.5 (5)
O17—Ce3—O23—C101	−127.4 (5)	C108—N12—C99—C100	−164.8 (5)
O19—Ce3—O23—C101	24.7 (5)	Ce3—N12—C99—C100	62.4 (5)
O21—Ce3—O23—C101	131.9 (5)	N12—C99—C100—C105	120.5 (6)
N10—Ce3—O23—C101	92.8 (5)	N12—C99—C100—C101	−61.4 (6)
N11—Ce3—O23—C101	−63.0 (5)	Ce3—O23—C101—C102	−117.7 (5)
N12—Ce3—O23—C101	−44.4 (5)	Ce3—O23—C101—C100	63.0 (7)
N9—Ce3—O23—C101	160.6 (5)	C105—C100—C101—O23	178.3 (5)
C17—N1—C1—C2	−168.7 (5)	C99—C100—C101—O23	0.2 (8)
Ce1—N1—C1—C2	59.8 (6)	C105—C100—C101—C102	−0.9 (8)
N1—C1—C2—C3	−57.2 (7)	C99—C100—C101—C102	−179.1 (5)
N1—C1—C2—C7	123.8 (6)	C06B—O24—C102—C103	23.6 (14)
Ce1—O1—C3—C2	62.1 (7)	C06A—O24—C102—C103	−15.8 (10)
Ce1—O1—C3—C4	−118.7 (5)	C06B—O24—C102—C101	−155.4 (11)
C7—C2—C3—O1	178.6 (5)	C06A—O24—C102—C101	165.2 (7)
C1—C2—C3—O1	−0.4 (8)	O23—C101—C102—O24	1.2 (8)
C7—C2—C3—C4	−0.6 (8)	C100—C101—C102—O24	−179.5 (5)
C1—C2—C3—C4	−179.6 (5)	O23—C101—C102—C103	−177.8 (5)
C8—O2—C4—C5	−4.6 (9)	C100—C101—C102—C103	1.5 (9)
C8—O2—C4—C3	174.5 (5)	O24—C102—C103—C104	−179.8 (6)
O1—C3—C4—O2	1.6 (8)	C101—C102—C103—C104	−0.8 (10)
C2—C3—C4—O2	−179.2 (5)	C102—C103—C104—C105	−0.4 (10)
O1—C3—C4—C5	−179.3 (5)	C103—C104—C105—C100	1.0 (10)
C2—C3—C4—C5	0.0 (9)	C101—C100—C105—C104	−0.3 (9)
O2—C4—C5—C6	−179.9 (6)	C99—C100—C105—C104	177.8 (6)
C3—C4—C5—C6	1.1 (10)	C91—N11—C107—C108	177.2 (5)
C4—C5—C6—C7	−1.5 (11)	Ce3—N11—C107—C108	−47.6 (6)
C5—C6—C7—C2	0.9 (12)	C99—N12—C108—C107	178.5 (5)
C3—C2—C7—C6	0.2 (10)	Ce3—N12—C108—C107	−47.3 (5)
C1—C2—C7—C6	179.2 (6)	N11—C107—C108—N12	63.2 (7)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C26—H26B···O17^i	0.96	2.54	3.358 (7)	143
C16—H16B···O19^ii	0.96	2.60	3.411 (7)	143
C55—H55A···O6^ii	0.97	2.69	3.634 (6)	166

Symmetry codes: (i) −x+1, y+1/2, −z+1/2; (ii) −x+1, y−1/2, −z+1/2.