Topological identification of the first uninodal 8-connected lsz MOF built from 2,2′-di­fluoro­biphenyl-4,4′-di­carboxyl­ate pillars and cadmium(II)–triazolate layers

Using polynuclear metal clusters as nodes, many high-symmetry high-connectivity nets, like 8-connnected bcu and 12-connected fcu, have been attained in metal–organic frameworks (MOFs). However, construction of low-symmetry high-connected MOFs with a novel topology still remains a big challenge. For example, a uninodal 8-connected lsz network, observed in inorganic ZrSiO₄, has not been topologically identified in MOFs. Using 2,2′-di­fluoro­biphenyl-4,4′-di­carb­oxy­lic acid (H₂L) as a new linker and 1,2,4-triazole (Htrz) as a coligand, a novel three-dimensional Cd^II–MOF, namely poly[tetra­kis­(μ₄-2,2′-di­fluorobi­phenyl-4,4′-di­carboxyl­ato-κ⁵O¹,O^1′:O^1′:O⁴:O^4′)tetra­kis­(N,N-di­methyl­formamide-κO)tetra­kis­(μ₃-1,2,4-triazolato-κ³N¹:N²:N⁴)hexa­cadmium(II)], [Cd₆(C₁₄H₆F₂O₄)₄(C₂H₂N₃)₄(C₃H₇NO)₄]_n, (I), has been prepared. Single-crystal structure analysis indicates that six different Cd^II ions co-exist in (I) and each Cd^II ion displays a distorted [CdO₄N₂] octa­hedral geometry with four equatorial O atoms and two axial N atoms. Three Cd^II ions are connected by four carboxyl­ate groups and four trz⁻ ligands to form a linear trinuclear [Cd₃(COO)₄(trz)₄] cluster, as do the other three Cd^II ions. Two Cd₃ clusters are linked by trz⁻ ligands in a μ_1,2,4-bridging mode to produce a two-dimensional Cd^II–triazolate layer with (6,3) topology in the ab plane. These two-dimensional layers are further pillared by the L²⁻ ligands along the c axis to generate a complicated three-dimensional framework. Topologically, regarding the Cd₃ cluster as an 8-connected node, the whole architecture of (I) is a uninodal 8-connected lsz framework with the Schläfli symbol (4²²·6⁶). Complex (I) was further characterized by elemental analysis, IR spectroscopy, powder X-ray diffraction, thermogravimetric analysis and a photoluminescence study. MOF (I) has a high thermal and water stability.

Computing details

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2010); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Poly[tetrakis(µ₄-2,2'-difluoro-4,4'-biphenyldicarboxylato-κ⁵O¹,O^1':O^1':O⁴:O^4')tetrakis(N,N-dimethylformamide-κO)tetrakis(µ₃-1,2,4-triazolato-κ³N¹:N²:N⁴)hexacadmium(II)]

Crystal data

[Cd6(C14H6F2O4)4(C2H2N3)4(C3H7NO)4]	F(000) = 4592
Mr = 2343.80	Dx = 1.795 Mg m^−3
Monoclinic, Cc	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: C -2yc	Cell parameters from 9939 reflections
a = 18.644 (2) Å	θ = 2.3–26.6°
b = 18.646 (2) Å	µ = 1.54 mm^−1
c = 26.106 (3) Å	T = 140 K
β = 107.160 (1)°	Block, colourless
V = 8671.3 (18) Å^3	0.20 × 0.15 × 0.10 mm
Z = 4

Data collection

Bruker SMART APEXII CCD area detector diffractometer	14537 independent reflections
Radiation source: fine-focus sealed tube	14169 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.041
phi and ω scans	θmax = 25.0°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Bruker, 2005)	h = −22→22
Tmin = 0.758, Tmax = 0.857	k = −22→18
29781 measured reflections	l = −30→31

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.047	H-atom parameters constrained
wR(F^2) = 0.110	w = 1/[σ^2(Fo^2) + (0.0275P)^2 + 114.9839P] where P = (Fo^2 + 2Fc^2)/3
S = 1.11	(Δ/σ)max = 0.002
14537 reflections	Δρmax = 1.45 e Å^−3
1193 parameters	Δρmin = −1.22 e Å^−3
122 restraints	Absolute structure: Flack (1983), 6901 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.03 (3)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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)
Cd1	0.96248 (3)	0.69534 (3)	1.04120 (2)	0.01498 (14)
Cd2	0.87330 (3)	0.87267 (3)	1.01827 (3)	0.01593 (14)
Cd3	0.80797 (3)	1.03734 (3)	1.06569 (2)	0.01469 (14)
Cd4	1.05131 (3)	1.28562 (4)	1.04226 (3)	0.01715 (15)
Cd5	0.86440 (4)	1.36608 (3)	1.01857 (3)	0.01582 (14)
Cd6	0.71977 (3)	1.45058 (3)	1.06768 (2)	0.01473 (14)
C1	0.9180 (5)	0.7477 (5)	1.1247 (4)	0.0190 (19)
C2	0.8953 (5)	0.7774 (5)	1.1715 (4)	0.024 (2)
C3	0.8390 (6)	0.8287 (5)	1.1639 (4)	0.024 (2)
H3A	0.8118	0.8437	1.1288	0.029*
C4	0.8233 (6)	0.8572 (5)	1.2079 (4)	0.027 (2)
H4A	0.7845	0.8919	1.2023	0.032*	0.50
C5	0.8612 (6)	0.8379 (6)	1.2594 (4)	0.033 (3)
C6	0.9170 (7)	0.7847 (6)	1.2662 (4)	0.040 (3)
H6A	0.9437	0.7694	1.3014	0.048*	0.50
C7	0.9334 (7)	0.7549 (6)	1.2233 (4)	0.035 (3)
H7A	0.9709	0.7187	1.2287	0.042*
C8	0.8480 (6)	0.8749 (6)	1.3064 (4)	0.030 (2)
C9	0.8530 (6)	0.9497 (6)	1.3123 (4)	0.032 (2)
H9A	0.8600	0.9779	1.2838	0.038*	0.50
C10	0.8481 (6)	0.9833 (6)	1.3579 (4)	0.030 (2)
H10A	0.8534	1.0340	1.3611	0.036*
C11	0.8353 (6)	0.9436 (6)	1.3996 (4)	0.030 (2)
C12	0.8267 (6)	0.8700 (6)	1.3948 (4)	0.032 (2)
H12A	0.8155	0.8424	1.4220	0.038*
C13	0.8351 (7)	0.8374 (6)	1.3489 (4)	0.036 (3)
H13A	0.8319	0.7866	1.3465	0.043*	0.50
C14	0.8315 (5)	0.9810 (6)	1.4506 (4)	0.028 (2)
C15	0.8487 (5)	0.7425 (6)	0.9332 (4)	0.027 (2)
C16	0.7925 (5)	0.7087 (5)	0.8843 (4)	0.023 (2)
C17	0.8047 (5)	0.6399 (6)	0.8700 (4)	0.026 (2)
H17A	0.8498	0.6155	0.8883	0.032*
C18	0.7505 (5)	0.6058 (5)	0.8283 (4)	0.026 (2)
C19	0.6841 (5)	0.6414 (6)	0.8007 (4)	0.026 (2)
C20	0.6748 (6)	0.7115 (5)	0.8147 (4)	0.026 (2)
H20A	0.6316	0.7374	0.7950	0.031*
C21	0.7274 (5)	0.7447 (6)	0.8571 (4)	0.027 (2)
H21A	0.7187	0.7920	0.8675	0.032*
C22	0.6242 (5)	0.6047 (6)	0.7579 (4)	0.028 (2)
C23	0.5891 (6)	0.5438 (6)	0.7668 (4)	0.030 (2)
H23A	0.6086	0.5199	0.8002	0.036*	0.50
C24	0.5267 (6)	0.5149 (6)	0.7298 (4)	0.033 (3)
H24A	0.5032	0.4732	0.7382	0.040*
C25	0.4992 (5)	0.5478 (5)	0.6807 (4)	0.022 (2)
C26	0.5344 (5)	0.6075 (5)	0.6685 (4)	0.023 (2)
H26A	0.5173	0.6287	0.6339	0.028*
C27	0.5951 (6)	0.6363 (5)	0.7071 (4)	0.028 (2)
H27A	0.6178	0.6787	0.6990	0.033*	0.50
C28	0.4290 (5)	0.5206 (5)	0.6404 (3)	0.0177 (19)
C29	1.0336 (5)	1.3745 (5)	1.1219 (4)	0.0194 (19)
C30	1.0271 (5)	1.4238 (5)	1.1651 (4)	0.023 (2)
C31	1.0756 (6)	1.4181 (6)	1.2156 (4)	0.033 (2)
H31A	1.1147	1.3835	1.2232	0.040*
C32	1.0675 (6)	1.4630 (6)	1.2553 (4)	0.036 (3)
H32A	1.1035	1.4606	1.2897	0.043*	0.50
C33	1.0090 (5)	1.5115 (6)	1.2471 (4)	0.026 (2)
C34	0.9609 (6)	1.5170 (6)	1.1950 (4)	0.034 (3)
H34A	0.9209	1.5507	1.1875	0.041*	0.50
C35	0.9701 (6)	1.4746 (6)	1.1542 (4)	0.033 (3)
H35A	0.9377	1.4801	1.1187	0.040*
C36	0.9934 (5)	1.5517 (6)	1.2917 (4)	0.028 (2)
C37	1.0423 (6)	1.5994 (6)	1.3238 (4)	0.029 (2)
C38	1.0311 (6)	1.6339 (5)	1.3677 (4)	0.030 (2)
H38A	1.0664	1.6676	1.3881	0.036*
C39	0.9661 (6)	1.6173 (5)	1.3807 (4)	0.027 (2)
C40	0.9135 (6)	1.5711 (6)	1.3485 (4)	0.030 (2)
H40A	0.8685	1.5611	1.3571	0.036*
C41	0.9260 (6)	1.5396 (7)	1.3039 (4)	0.037 (3)
H41A	0.8887	1.5096	1.2814	0.044*
C42	0.9547 (6)	1.6468 (6)	1.4321 (4)	0.030 (2)
C43	0.8182 (5)	1.3704 (5)	1.1445 (4)	0.0188 (19)
C44	0.8680 (5)	1.3256 (5)	1.1873 (4)	0.026 (2)
C45	0.9164 (5)	1.2740 (5)	1.1755 (4)	0.023 (2)
H45A	0.9158	1.2656	1.1395	0.028*
C46	0.9641 (5)	1.2363 (5)	1.2166 (4)	0.025 (2)
C47	0.9686 (5)	1.2472 (6)	1.2699 (4)	0.031 (2)
C48	0.9211 (7)	1.2980 (7)	1.2817 (5)	0.041 (3)
H48A	0.9234	1.3065	1.3180	0.049*
C49	0.8699 (6)	1.3369 (7)	1.2410 (4)	0.038 (3)
H49A	0.8368	1.3704	1.2496	0.045*
C50	1.0253 (6)	1.2104 (6)	1.3149 (4)	0.030 (2)
C51	1.1003 (6)	1.2117 (6)	1.3204 (4)	0.028 (2)
H51A	1.1169	1.2323	1.2926	0.033*	0.50
C52	1.1536 (6)	1.1840 (6)	1.3652 (4)	0.030 (2)
H52A	1.2055	1.1892	1.3687	0.035*
C53	1.1311 (5)	1.1490 (5)	1.4045 (4)	0.024 (2)
C54	1.0553 (6)	1.1428 (6)	1.3986 (4)	0.032 (2)
H54A	1.0390	1.1175	1.4247	0.039*
C55	1.0028 (6)	1.1733 (7)	1.3548 (4)	0.035 (3)
H55A	0.9509	1.1691	1.3516	0.043*	0.50
C56	1.1898 (5)	1.1235 (6)	1.4555 (4)	0.031 (3)
C57	1.0470 (5)	0.9108 (5)	1.0413 (4)	0.0187 (17)
H57A	1.0347	0.9598	1.0334	0.022*
C58	1.1080 (5)	0.8151 (5)	1.0665 (3)	0.0189 (18)
H58A	1.1488	0.7831	1.0802	0.023*
C59	0.6714 (5)	0.9181 (5)	1.0602 (4)	0.024 (2)
H59A	0.6437	0.9464	1.0779	0.028*
C60	0.7068 (5)	0.8329 (6)	1.0199 (4)	0.023 (2)
H60A	0.7094	0.7879	1.0036	0.028*
C61	0.8379 (5)	1.2029 (5)	1.0412 (4)	0.0202 (19)
H61A	0.7854	1.2119	1.0313	0.024*
C62	0.9424 (5)	1.1519 (5)	1.0666 (4)	0.022 (2)
H62A	0.9806	1.1169	1.0793	0.026*
C63	0.8341 (5)	1.5865 (5)	1.0566 (4)	0.0184 (18)
H63A	0.8134	1.6227	1.0736	0.022*
C64	0.8994 (5)	1.5354 (5)	1.0158 (4)	0.0212 (19)
H64A	0.9370	1.5267	0.9987	0.025*
C65	1.0777 (6)	0.6451 (5)	0.9839 (4)	0.031 (2)
H65A	1.0861	0.6953	0.9829	0.037*
C66	1.0883 (7)	0.5301 (6)	0.9462 (6)	0.046 (3)
H66A	1.0641	0.5139	0.9728	0.069*
H66B	1.1372	0.5067	0.9529	0.069*
H66C	1.0565	0.5177	0.9102	0.069*
C67	1.1323 (9)	0.6415 (8)	0.9122 (6)	0.063 (4)
H67A	1.1418	0.6920	0.9223	0.095*
H67B	1.0979	0.6384	0.8758	0.095*
H67C	1.1798	0.6179	0.9135	0.095*
C68	0.7510 (7)	1.1177 (8)	1.1490 (5)	0.051 (3)
H68A	0.8036	1.1250	1.1629	0.061*
C69	0.6309 (8)	1.1211 (9)	1.1632 (6)	0.058 (3)
H69A	0.6125	1.1223	1.1240	0.088*
H69B	0.6080	1.1604	1.1779	0.088*
H69C	0.6173	1.0752	1.1762	0.088*
C70	0.7455 (9)	1.1512 (9)	1.2359 (6)	0.067 (3)
H70A	0.8002	1.1503	1.2436	0.101*
H70B	0.7305	1.1182	1.2601	0.101*
H70C	0.7292	1.1999	1.2411	0.101*
C71	1.0702 (6)	1.1504 (5)	0.9799 (5)	0.033 (2)
H71A	1.0184	1.1476	0.9773	0.039*
C72	1.1709 (6)	1.1119 (6)	0.9469 (5)	0.040 (3)
H72A	1.2011	1.1386	0.9782	0.060*
H72B	1.1744	1.1352	0.9141	0.060*
H72C	1.1896	1.0626	0.9484	0.060*
C73	1.0416 (8)	1.0678 (9)	0.9057 (6)	0.070 (5)
H73A	0.9898	1.0822	0.9021	0.104*
H73B	1.0482	1.0170	0.9156	0.104*
H73C	1.0522	1.0753	0.8714	0.104*
C74	0.6878 (8)	1.5529 (7)	1.1518 (5)	0.050 (3)
H74A	0.6945	1.5092	1.1714	0.060*
C75	0.7055 (9)	1.6099 (8)	1.2366 (5)	0.059 (3)
H75A	0.7138	1.5602	1.2492	0.088*
H75B	0.6616	1.6293	1.2452	0.088*
H75C	0.7498	1.6388	1.2543	0.088*
C76	0.6830 (9)	1.6802 (7)	1.1536 (5)	0.061 (3)
H76A	0.6574	1.6748	1.1152	0.091*
H76B	0.7323	1.7023	1.1585	0.091*
H76C	0.6529	1.7108	1.1698	0.091*
F1	0.7712 (6)	0.9090 (5)	1.2003 (4)	0.040 (3)	0.645 (17)
F1A	0.9631 (13)	0.7778 (12)	1.3147 (7)	0.062 (8)	0.355 (17)
F2	0.8266 (6)	0.7644 (4)	1.3456 (4)	0.043 (3)	0.713 (17)
F2A	0.8703 (16)	0.9911 (11)	1.2762 (10)	0.048 (8)	0.287 (17)
F3	0.7635 (3)	0.5405 (4)	0.8134 (3)	0.0474 (19)
F4	0.6302 (6)	0.6940 (7)	0.6958 (5)	0.036 (4)	0.496 (16)
F4A	0.6171 (8)	0.5096 (7)	0.8141 (4)	0.043 (4)	0.504 (16)
F5	0.9017 (12)	1.5590 (12)	1.1876 (8)	0.034 (7)	0.276 (17)
F5A	1.1135 (7)	1.4569 (7)	1.3056 (3)	0.073 (5)	0.724 (17)
F6	1.1078 (4)	1.6143 (4)	1.3117 (3)	0.0495 (19)
F7	1.0107 (4)	1.1876 (3)	1.2047 (3)	0.0409 (16)
F8	0.9287 (8)	1.1629 (10)	1.3486 (8)	0.057 (6)	0.420 (16)
F8A	1.1252 (6)	1.2502 (6)	1.2845 (4)	0.034 (3)	0.580 (16)
O1	0.9697 (4)	0.7031 (4)	1.1331 (3)	0.0246 (15)
O2	0.8833 (4)	0.7689 (4)	1.0766 (3)	0.0256 (15)
O3	0.7881 (4)	0.9556 (4)	1.4746 (3)	0.0282 (16)
O4	0.8751 (4)	1.0329 (4)	1.4641 (3)	0.0375 (18)
O5	0.9098 (4)	0.7131 (4)	0.9517 (3)	0.0276 (16)
O6	0.8223 (4)	0.7968 (4)	0.9512 (3)	0.0346 (18)
O7	0.3898 (4)	0.4759 (4)	0.6559 (3)	0.0310 (17)
O8	0.4131 (3)	0.5411 (3)	0.5917 (3)	0.0226 (14)
O9	1.0809 (4)	1.3235 (4)	1.1327 (3)	0.0255 (15)
O10	0.9913 (4)	1.3838 (4)	1.0736 (3)	0.0228 (14)
O11	0.9958 (4)	1.6981 (4)	1.4534 (3)	0.0320 (17)
O12	0.9044 (4)	1.6154 (4)	1.4469 (3)	0.0349 (18)
O13	0.7779 (4)	1.4173 (4)	1.1573 (3)	0.0270 (16)
O14	0.8131 (3)	1.3577 (4)	1.0949 (3)	0.0238 (15)
O15	1.1740 (4)	1.0652 (4)	1.4767 (3)	0.0258 (15)
O16	1.2464 (4)	1.1617 (4)	1.4704 (3)	0.0340 (18)
O17	1.0470 (4)	0.6223 (3)	1.0189 (3)	0.0296 (17)
O18	0.7249 (4)	1.0972 (5)	1.1000 (3)	0.046 (2)
O19	1.1089 (4)	1.1915 (4)	1.0143 (3)	0.0303 (16)
O20	0.6750 (5)	1.5491 (4)	1.1018 (3)	0.0382 (19)
N1	1.0361 (4)	0.7904 (4)	1.0493 (3)	0.0200 (18)
N2	0.9968 (4)	0.8562 (4)	1.0326 (3)	0.0192 (16)
N3	1.1194 (4)	0.8840 (4)	1.0638 (3)	0.0150 (16)
N4	0.7567 (4)	0.8849 (4)	1.0262 (3)	0.0207 (17)
N5	0.7349 (4)	0.9398 (4)	1.0531 (3)	0.0225 (18)
N6	0.6494 (4)	0.8548 (4)	1.0410 (3)	0.0212 (17)
N7	0.9564 (5)	1.2142 (5)	1.0517 (4)	0.0255 (16)
N8	0.8875 (4)	1.2487 (4)	1.0356 (3)	0.0194 (14)
N9	0.8716 (4)	1.1389 (4)	1.0635 (3)	0.0198 (14)
N10	0.8502 (4)	1.4860 (4)	1.0224 (3)	0.0166 (16)
N11	0.8079 (4)	1.5190 (4)	1.0519 (3)	0.0139 (15)
N12	0.8879 (4)	1.5999 (4)	1.0373 (3)	0.0174 (16)
N13	1.0982 (5)	0.6057 (5)	0.9501 (4)	0.036 (2)
N14	0.7104 (5)	1.1290 (6)	1.1802 (4)	0.048 (3)
N15	1.0930 (5)	1.1109 (5)	0.9470 (4)	0.039 (2)
N16	0.6923 (6)	1.6120 (5)	1.1785 (4)	0.044 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cd1	0.0162 (3)	0.0132 (3)	0.0171 (3)	−0.0043 (3)	0.0072 (2)	−0.0023 (3)
Cd2	0.0124 (3)	0.0182 (3)	0.0170 (3)	−0.0019 (2)	0.0040 (2)	−0.0006 (3)
Cd3	0.0143 (3)	0.0123 (3)	0.0170 (3)	−0.0032 (2)	0.0038 (2)	0.0014 (3)
Cd4	0.0167 (3)	0.0157 (3)	0.0216 (3)	−0.0059 (3)	0.0096 (3)	−0.0050 (3)
Cd5	0.0189 (3)	0.0122 (3)	0.0166 (3)	−0.0014 (3)	0.0056 (2)	−0.0004 (3)
Cd6	0.0123 (3)	0.0136 (3)	0.0175 (3)	−0.0036 (2)	0.0032 (2)	−0.0001 (3)
C1	0.026 (5)	0.013 (5)	0.024 (5)	−0.004 (4)	0.016 (4)	0.003 (4)
C2	0.031 (5)	0.016 (5)	0.027 (5)	−0.008 (4)	0.011 (4)	−0.006 (4)
C3	0.033 (5)	0.021 (5)	0.021 (5)	−0.004 (4)	0.010 (4)	0.000 (4)
C4	0.035 (5)	0.026 (5)	0.021 (5)	0.000 (4)	0.011 (4)	−0.006 (4)
C5	0.036 (6)	0.040 (7)	0.028 (6)	−0.005 (5)	0.017 (5)	−0.010 (5)
C6	0.069 (8)	0.026 (6)	0.026 (6)	0.004 (6)	0.017 (6)	−0.002 (5)
C7	0.050 (7)	0.024 (6)	0.028 (6)	0.005 (5)	0.007 (5)	−0.003 (4)
C8	0.044 (6)	0.020 (5)	0.026 (6)	0.006 (4)	0.011 (5)	0.003 (4)
C9	0.041 (6)	0.027 (6)	0.030 (6)	0.011 (5)	0.015 (5)	0.002 (4)
C10	0.037 (6)	0.026 (6)	0.029 (6)	0.001 (4)	0.013 (5)	−0.005 (4)
C11	0.028 (5)	0.032 (6)	0.029 (6)	0.001 (4)	0.007 (4)	−0.006 (5)
C12	0.049 (6)	0.030 (6)	0.022 (5)	0.006 (5)	0.018 (5)	−0.006 (4)
C13	0.056 (7)	0.027 (6)	0.028 (6)	0.006 (5)	0.018 (5)	0.001 (5)
C14	0.021 (5)	0.039 (6)	0.022 (5)	0.007 (4)	0.002 (4)	−0.013 (5)
C15	0.023 (5)	0.039 (6)	0.021 (5)	−0.013 (5)	0.010 (4)	−0.007 (5)
C16	0.020 (5)	0.030 (6)	0.016 (5)	−0.007 (4)	0.004 (4)	−0.002 (4)
C17	0.015 (4)	0.044 (6)	0.016 (5)	0.001 (4)	−0.002 (4)	−0.002 (4)
C18	0.029 (5)	0.031 (6)	0.014 (4)	0.009 (4)	0.000 (4)	−0.003 (4)
C19	0.026 (5)	0.032 (6)	0.013 (5)	−0.003 (4)	−0.004 (4)	−0.004 (4)
C20	0.028 (5)	0.019 (5)	0.023 (5)	0.006 (4)	−0.005 (4)	0.002 (4)
C21	0.025 (5)	0.024 (5)	0.029 (5)	0.001 (4)	0.005 (4)	−0.002 (4)
C22	0.026 (5)	0.032 (6)	0.024 (5)	0.004 (4)	0.005 (4)	−0.012 (4)
C23	0.035 (6)	0.031 (6)	0.019 (5)	−0.003 (4)	−0.001 (4)	−0.001 (4)
C24	0.026 (5)	0.033 (6)	0.030 (6)	−0.007 (4)	−0.009 (4)	−0.001 (5)
C25	0.024 (5)	0.020 (5)	0.018 (5)	0.005 (4)	−0.002 (4)	−0.001 (4)
C26	0.025 (5)	0.030 (6)	0.013 (4)	0.003 (4)	0.004 (4)	0.002 (4)
C27	0.031 (5)	0.019 (5)	0.027 (5)	−0.005 (4)	−0.001 (4)	−0.005 (4)
C28	0.015 (4)	0.018 (5)	0.017 (5)	0.000 (4)	−0.001 (4)	−0.007 (4)
C29	0.018 (4)	0.023 (5)	0.023 (5)	0.000 (4)	0.014 (4)	0.001 (4)
C30	0.025 (5)	0.024 (5)	0.020 (5)	−0.002 (4)	0.008 (4)	−0.003 (4)
C31	0.030 (6)	0.036 (6)	0.033 (6)	0.006 (5)	0.008 (5)	−0.004 (5)
C32	0.038 (6)	0.049 (7)	0.016 (5)	−0.007 (5)	0.002 (4)	−0.004 (5)
C33	0.027 (5)	0.032 (6)	0.020 (5)	−0.009 (4)	0.011 (4)	−0.005 (4)
C34	0.042 (6)	0.040 (7)	0.023 (5)	−0.004 (5)	0.014 (5)	−0.008 (5)
C35	0.023 (5)	0.048 (7)	0.026 (5)	0.004 (5)	0.004 (4)	−0.012 (5)
C36	0.027 (5)	0.035 (6)	0.022 (5)	−0.006 (4)	0.008 (4)	−0.006 (5)
C37	0.033 (5)	0.030 (6)	0.029 (5)	−0.001 (4)	0.016 (4)	0.001 (4)
C38	0.045 (6)	0.022 (5)	0.026 (5)	−0.013 (5)	0.016 (5)	−0.008 (4)
C39	0.036 (6)	0.026 (6)	0.022 (5)	−0.001 (4)	0.013 (4)	−0.001 (4)
C40	0.038 (6)	0.026 (6)	0.034 (6)	−0.006 (5)	0.025 (5)	−0.008 (5)
C41	0.034 (6)	0.055 (8)	0.024 (6)	−0.010 (5)	0.013 (5)	−0.021 (5)
C42	0.036 (6)	0.028 (6)	0.023 (5)	−0.004 (5)	0.003 (4)	0.000 (4)
C43	0.023 (5)	0.016 (5)	0.019 (5)	−0.014 (4)	0.009 (4)	0.000 (4)
C44	0.029 (5)	0.025 (5)	0.021 (5)	0.000 (4)	0.005 (4)	0.004 (4)
C45	0.018 (4)	0.030 (6)	0.020 (5)	−0.002 (4)	0.005 (4)	0.000 (4)
C46	0.025 (5)	0.027 (6)	0.021 (5)	0.008 (4)	0.002 (4)	0.002 (4)
C47	0.020 (5)	0.042 (6)	0.029 (6)	0.000 (5)	0.005 (4)	0.009 (5)
C48	0.049 (7)	0.046 (7)	0.028 (6)	0.013 (6)	0.011 (5)	0.012 (5)
C49	0.039 (6)	0.045 (7)	0.027 (6)	0.013 (5)	0.009 (5)	0.008 (5)
C50	0.029 (6)	0.036 (6)	0.022 (5)	0.009 (5)	0.002 (4)	0.009 (5)
C51	0.034 (6)	0.036 (6)	0.014 (5)	0.003 (5)	0.008 (4)	0.000 (4)
C52	0.020 (5)	0.042 (7)	0.024 (5)	0.007 (4)	0.002 (4)	−0.003 (5)
C53	0.023 (5)	0.029 (6)	0.017 (5)	0.007 (4)	0.000 (4)	−0.004 (4)
C54	0.022 (5)	0.047 (7)	0.023 (5)	0.002 (5)	−0.002 (4)	0.014 (5)
C55	0.024 (5)	0.055 (7)	0.028 (6)	0.004 (5)	0.008 (4)	0.014 (5)
C56	0.025 (5)	0.032 (6)	0.033 (6)	0.015 (5)	0.003 (4)	−0.016 (5)
C57	0.023 (4)	0.008 (4)	0.029 (4)	−0.008 (3)	0.013 (3)	−0.001 (4)
C58	0.024 (4)	0.022 (5)	0.013 (4)	0.004 (4)	0.010 (3)	0.001 (4)
C59	0.021 (5)	0.020 (5)	0.029 (5)	−0.010 (4)	0.006 (4)	−0.008 (4)
C60	0.022 (5)	0.032 (5)	0.023 (5)	−0.002 (4)	0.016 (4)	−0.001 (4)
C61	0.013 (4)	0.023 (5)	0.028 (5)	−0.002 (3)	0.011 (4)	−0.004 (4)
C62	0.024 (5)	0.012 (5)	0.024 (5)	−0.006 (4)	0.001 (4)	−0.013 (4)
C63	0.017 (2)	0.019 (2)	0.020 (2)	−0.0031 (18)	0.0074 (18)	0.0003 (18)
C64	0.021 (2)	0.021 (2)	0.024 (2)	0.0014 (18)	0.0086 (18)	−0.0030 (18)
C65	0.049 (6)	0.014 (5)	0.038 (6)	0.004 (4)	0.024 (5)	−0.005 (4)
C66	0.059 (8)	0.026 (6)	0.066 (9)	0.000 (5)	0.040 (7)	−0.009 (6)
C67	0.095 (12)	0.049 (8)	0.070 (10)	0.017 (8)	0.063 (9)	0.021 (7)
C68	0.036 (5)	0.063 (6)	0.053 (6)	−0.001 (5)	0.013 (5)	−0.016 (5)
C69	0.049 (6)	0.076 (7)	0.056 (6)	0.000 (5)	0.025 (5)	−0.005 (5)
C70	0.064 (4)	0.073 (4)	0.064 (4)	0.006 (3)	0.018 (3)	−0.008 (3)
C71	0.036 (6)	0.022 (5)	0.049 (7)	−0.004 (4)	0.025 (5)	−0.017 (5)
C72	0.027 (5)	0.041 (7)	0.056 (8)	0.008 (5)	0.017 (5)	−0.003 (6)
C73	0.043 (8)	0.089 (12)	0.079 (11)	−0.003 (8)	0.020 (7)	−0.050 (9)
C74	0.077 (6)	0.039 (5)	0.039 (5)	0.014 (5)	0.026 (5)	0.006 (5)
C75	0.070 (4)	0.052 (4)	0.051 (4)	0.010 (3)	0.016 (3)	0.000 (3)
C76	0.090 (7)	0.043 (6)	0.043 (6)	0.009 (5)	0.007 (5)	0.008 (5)
F1	0.043 (6)	0.048 (7)	0.030 (5)	0.015 (5)	0.011 (4)	−0.004 (4)
F1A	0.090 (17)	0.069 (16)	0.019 (10)	0.027 (13)	0.004 (10)	0.006 (9)
F2	0.083 (8)	0.015 (5)	0.039 (5)	−0.005 (4)	0.031 (5)	−0.005 (4)
F2A	0.09 (2)	0.016 (12)	0.054 (17)	0.000 (11)	0.042 (14)	0.003 (10)
F3	0.034 (4)	0.046 (4)	0.052 (5)	0.011 (3)	−0.005 (3)	−0.019 (3)
F4	0.030 (7)	0.036 (8)	0.037 (8)	−0.017 (5)	−0.002 (5)	0.008 (6)
F4A	0.066 (9)	0.034 (8)	0.015 (6)	−0.019 (6)	−0.008 (6)	0.007 (5)
F5	0.033 (11)	0.042 (13)	0.022 (10)	0.006 (9)	0.000 (8)	−0.018 (9)
F5A	0.082 (8)	0.102 (10)	0.016 (5)	0.044 (7)	−0.012 (5)	−0.007 (5)
F6	0.049 (4)	0.059 (5)	0.051 (4)	−0.027 (4)	0.031 (3)	−0.018 (4)
F7	0.043 (4)	0.039 (4)	0.039 (4)	0.013 (3)	0.010 (3)	−0.001 (3)
F8	0.011 (7)	0.070 (13)	0.077 (14)	0.003 (7)	−0.008 (7)	0.026 (10)
F8A	0.026 (5)	0.045 (7)	0.034 (6)	−0.001 (5)	0.014 (5)	0.008 (5)
O1	0.021 (3)	0.030 (4)	0.022 (3)	0.008 (3)	0.005 (3)	0.003 (3)
O2	0.030 (4)	0.022 (4)	0.028 (4)	−0.012 (3)	0.014 (3)	−0.007 (3)
O3	0.041 (4)	0.025 (4)	0.022 (4)	−0.005 (3)	0.014 (3)	−0.004 (3)
O4	0.037 (4)	0.036 (5)	0.039 (5)	0.007 (4)	0.011 (4)	−0.011 (4)
O5	0.020 (4)	0.039 (4)	0.016 (3)	−0.007 (3)	−0.006 (3)	−0.008 (3)
O6	0.028 (4)	0.047 (5)	0.024 (4)	−0.004 (3)	0.002 (3)	−0.021 (3)
O7	0.030 (4)	0.027 (4)	0.031 (4)	−0.010 (3)	0.002 (3)	0.004 (3)
O8	0.019 (3)	0.018 (3)	0.029 (4)	−0.006 (3)	0.004 (3)	−0.005 (3)
O9	0.026 (4)	0.019 (4)	0.028 (4)	0.004 (3)	0.004 (3)	0.000 (3)
O10	0.023 (3)	0.022 (4)	0.026 (4)	−0.009 (3)	0.012 (3)	−0.004 (3)
O11	0.046 (4)	0.027 (4)	0.024 (4)	0.004 (3)	0.012 (3)	−0.002 (3)
O12	0.051 (5)	0.033 (4)	0.034 (4)	−0.013 (4)	0.032 (4)	−0.009 (3)
O13	0.022 (3)	0.037 (4)	0.021 (3)	0.009 (3)	0.005 (3)	−0.003 (3)
O14	0.013 (3)	0.024 (4)	0.030 (4)	−0.003 (3)	0.001 (3)	−0.002 (3)
O15	0.025 (4)	0.024 (4)	0.029 (4)	0.001 (3)	0.008 (3)	−0.002 (3)
O16	0.026 (4)	0.030 (4)	0.034 (4)	0.006 (3)	−0.010 (3)	−0.005 (3)
O17	0.025 (3)	0.011 (3)	0.057 (5)	0.004 (3)	0.018 (3)	−0.011 (3)
O18	0.019 (3)	0.064 (6)	0.055 (5)	−0.007 (4)	0.010 (4)	−0.032 (4)
O19	0.020 (4)	0.028 (4)	0.045 (4)	−0.004 (3)	0.014 (3)	−0.005 (4)
O20	0.049 (5)	0.017 (4)	0.048 (5)	0.004 (3)	0.014 (4)	−0.002 (3)
N1	0.019 (2)	0.022 (2)	0.020 (2)	−0.0063 (17)	0.0083 (17)	0.0061 (18)
N2	0.020 (4)	0.007 (4)	0.026 (4)	0.003 (3)	0.000 (3)	−0.003 (3)
N3	0.010 (3)	0.015 (4)	0.021 (4)	−0.007 (3)	0.007 (3)	−0.003 (3)
N4	0.009 (3)	0.026 (4)	0.027 (4)	−0.006 (3)	0.005 (3)	−0.008 (4)
N5	0.017 (4)	0.018 (4)	0.028 (4)	−0.012 (3)	−0.001 (3)	−0.005 (4)
N6	0.018 (4)	0.021 (4)	0.026 (4)	−0.012 (3)	0.010 (3)	−0.007 (4)
N7	0.022 (3)	0.023 (3)	0.029 (3)	−0.010 (3)	0.005 (3)	0.007 (3)
N8	0.016 (3)	0.012 (3)	0.028 (3)	−0.006 (2)	0.003 (2)	0.000 (2)
N9	0.021 (2)	0.019 (2)	0.020 (2)	−0.0059 (16)	0.0071 (16)	0.0025 (16)
N10	0.012 (4)	0.015 (4)	0.023 (4)	−0.004 (3)	0.006 (3)	0.005 (3)
N11	0.013 (2)	0.012 (2)	0.016 (2)	−0.0017 (17)	0.0028 (17)	−0.0004 (17)
N12	0.019 (2)	0.016 (2)	0.016 (2)	−0.0052 (17)	0.0032 (17)	−0.0006 (17)
N13	0.050 (6)	0.023 (5)	0.041 (6)	0.004 (4)	0.024 (5)	0.004 (4)
N14	0.034 (5)	0.079 (8)	0.034 (5)	0.022 (5)	0.014 (4)	−0.006 (5)
N15	0.028 (5)	0.044 (6)	0.047 (6)	−0.005 (4)	0.013 (4)	−0.018 (5)
N16	0.064 (7)	0.030 (6)	0.039 (6)	0.011 (5)	0.014 (5)	−0.003 (4)

Geometric parameters (Å, º)

Cd1—N1	2.214 (8)	C38—H38A	0.9500
Cd1—N12^i	2.242 (7)	C39—C40	1.387 (15)
Cd1—O5	2.276 (6)	C39—C42	1.520 (14)
Cd1—O17	2.285 (6)	C40—C41	1.384 (14)
Cd1—O1	2.367 (7)	C40—H40A	0.9500
Cd1—O2	2.391 (7)	C41—H41A	0.9500
Cd1—C1	2.732 (9)	C42—O11	1.249 (12)
Cd2—O6	2.233 (7)	C42—O12	1.261 (13)
Cd2—N2	2.242 (8)	C43—O13	1.260 (12)
Cd2—N4	2.255 (7)	C43—O14	1.292 (11)
Cd2—O4^ii	2.264 (7)	C43—C44	1.483 (13)
Cd2—O2	2.435 (7)	C44—C49	1.408 (15)
Cd2—O8^iii	2.444 (7)	C44—C45	1.414 (14)
Cd3—N5	2.239 (8)	C45—C46	1.368 (13)
Cd3—N9	2.244 (8)	C45—H45A	0.9500
Cd3—O18	2.295 (8)	C46—F7	1.355 (11)
Cd3—O3^ii	2.299 (7)	C46—C47	1.385 (14)
Cd3—O8^iii	2.378 (6)	C47—C48	1.393 (16)
Cd3—O7^iii	2.410 (7)	C47—C50	1.493 (14)
Cd3—C28^iii	2.734 (8)	C48—C49	1.402 (15)
Cd4—N6^iv	2.246 (7)	C48—H48A	0.9500
Cd4—O11^v	2.265 (7)	C49—H49A	0.9500
Cd4—N7	2.285 (8)	C50—C51	1.363 (15)
Cd4—O19	2.286 (7)	C50—C55	1.414 (15)
Cd4—O9	2.368 (7)	C51—F8A	1.367 (14)
Cd4—O10	2.410 (7)	C51—C52	1.390 (14)
Cd4—C29	2.753 (9)	C51—H51A	0.9500
Cd5—O12^v	2.235 (7)	C52—C53	1.382 (15)
Cd5—O16^vi	2.249 (7)	C52—H52A	0.9500
Cd5—N8	2.249 (7)	C53—C54	1.380 (14)
Cd5—N10	2.257 (7)	C53—C56	1.529 (13)
Cd5—O10	2.400 (6)	C54—C55	1.389 (14)
Cd5—O14	2.456 (7)	C54—H54A	0.9500
Cd6—N11	2.213 (7)	C55—F8	1.358 (18)
Cd6—N3^vii	2.223 (7)	C55—H55A	0.9500
Cd6—O15^vi	2.292 (7)	C56—O16	1.238 (13)
Cd6—O20	2.303 (7)	C56—O15	1.292 (13)
Cd6—O13	2.354 (6)	C57—N2	1.355 (11)
Cd6—O14	2.409 (6)	C57—N3	1.396 (12)
Cd6—C43	2.729 (9)	C57—H57A	0.9500
C1—O1	1.242 (11)	C58—N3	1.307 (12)
C1—O2	1.294 (11)	C58—N1	1.361 (12)
C1—C2	1.512 (13)	C58—H58A	0.9500
C2—C3	1.389 (14)	C59—N6	1.299 (12)
C2—C7	1.393 (14)	C59—N5	1.314 (12)
C3—C4	1.373 (14)	C59—H59A	0.9500
C3—H3A	0.9500	C60—N4	1.319 (12)
C4—F1	1.343 (14)	C60—N6	1.403 (12)
C4—C5	1.370 (15)	C60—H60A	0.9500
C4—H4A	0.9500	C61—N8	1.297 (12)
C5—C6	1.410 (16)	C61—N9	1.394 (12)
C5—C8	1.491 (15)	C61—H61A	0.9500
C6—F1A	1.31 (2)	C62—N7	1.277 (12)
C6—C7	1.364 (15)	C62—N9	1.320 (12)
C6—H6A	0.9500	C62—H62A	0.9500
C7—H7A	0.9500	C63—N12	1.273 (12)
C8—C13	1.389 (15)	C63—N11	1.341 (12)
C8—C9	1.403 (15)	C63—H63A	0.9500
C9—F2A	1.33 (2)	C64—N10	1.346 (11)
C9—C10	1.374 (14)	C64—N12	1.371 (12)
C9—H9A	0.9500	C64—H64A	0.9500
C10—C11	1.394 (15)	C65—O17	1.285 (12)
C10—H10A	0.9500	C65—N13	1.290 (13)
C11—C12	1.384 (15)	C65—H65A	0.9500
C11—C14	1.521 (14)	C66—N13	1.420 (14)
C12—C13	1.393 (14)	C66—H66A	0.9800
C12—H12A	0.9500	C66—H66B	0.9800
C13—F2	1.370 (14)	C66—H66C	0.9800
C13—H13A	0.9500	C67—N13	1.484 (15)
C14—O4	1.246 (13)	C67—H67A	0.9800
C14—O3	1.254 (13)	C67—H67B	0.9800
C15—O5	1.227 (12)	C67—H67C	0.9800
C15—O6	1.275 (13)	C68—N14	1.284 (16)
C15—C16	1.528 (13)	C68—O18	1.284 (14)
C16—C17	1.375 (14)	C68—H68A	0.9500
C16—C21	1.385 (14)	C69—N14	1.424 (16)
C17—C18	1.400 (13)	C69—H69A	0.9800
C17—H17A	0.9500	C69—H69B	0.9800
C18—F3	1.322 (12)	C69—H69C	0.9800
C18—C19	1.402 (14)	C70—N14	1.466 (17)
C19—C20	1.381 (14)	C70—H70A	0.9800
C19—C22	1.492 (13)	C70—H70B	0.9800
C20—C21	1.390 (13)	C70—H70C	0.9800
C20—H20A	0.9500	C71—O19	1.239 (12)
C21—H21A	0.9500	C71—N15	1.293 (13)
C22—C23	1.365 (15)	C71—H71A	0.9500
C22—C27	1.406 (14)	C72—N15	1.453 (13)
C23—F4A	1.351 (15)	C72—H72A	0.9800
C23—C24	1.382 (14)	C72—H72B	0.9800
C23—H23A	0.9500	C72—H72C	0.9800
C24—C25	1.376 (14)	C73—N15	1.456 (16)
C24—H24A	0.9500	C73—H73A	0.9800
C25—C26	1.378 (14)	C73—H73B	0.9800
C25—C28	1.503 (12)	C73—H73C	0.9800
C26—C27	1.382 (13)	C74—O20	1.256 (14)
C26—H26A	0.9500	C74—N16	1.293 (16)
C27—F4	1.337 (15)	C74—H74A	0.9500
C27—H27A	0.9500	C75—N16	1.465 (16)
C28—O7	1.252 (11)	C75—H75A	0.9800
C28—O8	1.277 (11)	C75—H75B	0.9800
C28—Cd3^viii	2.734 (8)	C75—H75C	0.9800
C29—O9	1.271 (11)	C76—N16	1.416 (16)
C29—O10	1.287 (11)	C76—H76A	0.9800
C29—C30	1.487 (13)	C76—H76B	0.9800
C30—C31	1.365 (14)	C76—H76C	0.9800
C30—C35	1.389 (14)	O3—Cd3^ix	2.299 (7)
C31—C32	1.375 (15)	O4—Cd2^ix	2.264 (7)
C31—H31A	0.9500	O7—Cd3^viii	2.410 (7)
C32—F5A	1.345 (13)	O8—Cd3^viii	2.379 (6)
C32—C33	1.384 (16)	O8—Cd2^viii	2.444 (7)
C32—H32A	0.9500	O11—Cd4^x	2.265 (7)
C33—C34	1.395 (14)	O12—Cd5^x	2.235 (7)
C33—C36	1.484 (14)	O15—Cd6^xi	2.293 (7)
C34—F5	1.32 (2)	O16—Cd5^xi	2.249 (6)
C34—C35	1.378 (15)	N1—N2	1.430 (11)
C34—H34A	0.9500	N3—Cd6^xii	2.223 (7)
C35—H35A	0.9500	N4—N5	1.369 (11)
C36—C37	1.369 (14)	N6—Cd4^xiii	2.246 (7)
C36—C41	1.402 (14)	N7—N8	1.388 (11)
C37—F6	1.377 (12)	N10—N11	1.399 (10)
C37—C38	1.384 (14)	N12—Cd1^xiv	2.242 (7)
C38—C39	1.386 (15)
N1—Cd1—N12^i	177.1 (3)	C34—C33—C36	120.6 (10)
N1—Cd1—O5	92.8 (3)	F5—C34—C35	121.2 (13)
N12^i—Cd1—O5	89.7 (3)	F5—C34—C33	117.1 (12)
N1—Cd1—O17	92.7 (3)	C35—C34—C33	121.4 (11)
N12^i—Cd1—O17	88.9 (3)	F5—C34—H34A	6.5
O5—Cd1—O17	86.9 (3)	C35—C34—H34A	119.3
N1—Cd1—O1	90.3 (3)	C33—C34—H34A	119.3
N12^i—Cd1—O1	86.7 (3)	C34—C35—C30	119.7 (10)
O5—Cd1—O1	155.5 (2)	C34—C35—H35A	120.1
O17—Cd1—O1	117.3 (3)	C30—C35—H35A	120.1
N1—Cd1—O2	86.5 (3)	C37—C36—C41	116.4 (9)
N12^i—Cd1—O2	91.6 (3)	C37—C36—C33	124.0 (9)
O5—Cd1—O2	100.6 (3)	C41—C36—C33	119.5 (9)
O17—Cd1—O2	172.4 (3)	C36—C37—F6	117.8 (9)
O1—Cd1—O2	55.3 (2)	C36—C37—C38	125.0 (10)
N1—Cd1—C1	87.9 (3)	F6—C37—C38	117.2 (9)
N12^i—Cd1—C1	89.4 (3)	C37—C38—C39	117.1 (9)
O5—Cd1—C1	128.8 (3)	C37—C38—H38A	121.5
O17—Cd1—C1	144.2 (3)	C39—C38—H38A	121.5
O1—Cd1—C1	27.0 (2)	C38—C39—C40	120.2 (9)
O2—Cd1—C1	28.3 (2)	C38—C39—C42	119.6 (9)
O6—Cd2—N2	102.9 (3)	C40—C39—C42	120.1 (9)
O6—Cd2—N4	86.4 (3)	C41—C40—C39	120.7 (10)
N2—Cd2—N4	165.6 (3)	C41—C40—H40A	119.7
O6—Cd2—O4^ii	94.8 (3)	C39—C40—H40A	119.7
N2—Cd2—O4^ii	90.4 (3)	C40—C41—C36	120.5 (10)
N4—Cd2—O4^ii	99.8 (3)	C40—C41—H41A	119.8
O6—Cd2—O2	85.6 (3)	C36—C41—H41A	119.8
N2—Cd2—O2	84.4 (3)	O11—C42—O12	129.2 (10)
N4—Cd2—O2	85.5 (3)	O11—C42—C39	116.3 (9)
O4^ii—Cd2—O2	174.7 (3)	O12—C42—C39	114.5 (9)
O6—Cd2—O8^iii	172.9 (2)	O13—C43—O14	121.4 (8)
N2—Cd2—O8^iii	84.3 (2)	O13—C43—C44	118.7 (8)
N4—Cd2—O8^iii	86.5 (2)	O14—C43—C44	119.8 (9)
O4^ii—Cd2—O8^iii	85.5 (3)	O13—C43—Cd6	59.5 (5)
O2—Cd2—O8^iii	94.7 (2)	O14—C43—Cd6	62.0 (5)
N5—Cd3—N9	170.3 (3)	C44—C43—Cd6	176.7 (7)
N5—Cd3—O18	90.0 (3)	C49—C44—C45	119.2 (9)
N9—Cd3—O18	91.3 (3)	C49—C44—C43	119.5 (9)
N5—Cd3—O3^ii	89.4 (3)	C45—C44—C43	121.2 (9)
N9—Cd3—O3^ii	81.4 (3)	C46—C45—C44	119.2 (9)
O18—Cd3—O3^ii	117.0 (3)	C46—C45—H45A	120.4
N5—Cd3—O8^iii	87.5 (3)	C44—C45—H45A	120.4
N9—Cd3—O8^iii	97.4 (2)	F7—C46—C45	118.5 (9)
O18—Cd3—O8^iii	141.4 (3)	F7—C46—C47	118.4 (8)
O3^ii—Cd3—O8^iii	101.4 (2)	C45—C46—C47	123.1 (9)
N5—Cd3—O7^iii	104.0 (3)	C46—C47—C48	117.9 (9)
N9—Cd3—O7^iii	85.7 (3)	C46—C47—C50	122.8 (10)
O18—Cd3—O7^iii	88.5 (3)	C48—C47—C50	119.2 (10)
O3^ii—Cd3—O7^iii	151.4 (3)	C47—C48—C49	121.3 (11)
O8^iii—Cd3—O7^iii	55.1 (2)	C47—C48—H48A	119.3
N5—Cd3—C28^iii	97.0 (3)	C49—C48—H48A	119.3
N9—Cd3—C28^iii	91.2 (3)	C48—C49—C44	119.2 (11)
O18—Cd3—C28^iii	115.1 (3)	C48—C49—H49A	120.4
O3^ii—Cd3—C28^iii	127.4 (3)	C44—C49—H49A	120.4
O8^iii—Cd3—C28^iii	27.8 (2)	C51—C50—C55	116.6 (9)
O7^iii—Cd3—C28^iii	27.3 (3)	C51—C50—C47	122.8 (10)
N6^iv—Cd4—O11^v	92.1 (3)	C55—C50—C47	120.6 (9)
N6^iv—Cd4—N7	174.8 (3)	C50—C51—F8A	118.8 (9)
O11^v—Cd4—N7	93.1 (3)	C50—C51—C52	122.7 (10)
N6^iv—Cd4—O19	88.6 (3)	F8A—C51—C52	118.0 (10)
O11^v—Cd4—O19	83.8 (3)	C50—C51—H51A	118.7
N7—Cd4—O19	92.2 (3)	F8A—C51—H51A	8.1
N6^iv—Cd4—O9	83.8 (3)	C52—C51—H51A	118.7
O11^v—Cd4—O9	152.0 (2)	C53—C52—C51	120.1 (9)
N7—Cd4—O9	91.5 (3)	C53—C52—H52A	120.0
O19—Cd4—O9	123.6 (2)	C51—C52—H52A	120.0
N6^iv—Cd4—O10	91.7 (3)	C54—C53—C52	118.8 (9)
O11^v—Cd4—O10	97.3 (2)	C54—C53—C56	121.2 (9)
N7—Cd4—O10	87.4 (3)	C52—C53—C56	119.9 (9)
O19—Cd4—O10	178.8 (3)	C53—C54—C55	120.5 (10)
O9—Cd4—O10	55.3 (2)	C53—C54—H54A	119.7
N6^iv—Cd4—C29	86.8 (3)	C55—C54—H54A	119.7
O11^v—Cd4—C29	124.9 (3)	F8—C55—C54	119.0 (12)
N7—Cd4—C29	90.0 (3)	F8—C55—C50	119.7 (11)
O19—Cd4—C29	151.1 (3)	C54—C55—C50	121.1 (10)
O9—Cd4—C29	27.4 (2)	F8—C55—H55A	3.9
O10—Cd4—C29	27.9 (2)	C54—C55—H55A	119.4
O12^v—Cd5—O16^vi	94.6 (3)	C50—C55—H55A	119.4
O12^v—Cd5—N8	103.0 (3)	O16—C56—O15	129.1 (9)
O16^vi—Cd5—N8	89.2 (3)	O16—C56—C53	114.8 (10)
O12^v—Cd5—N10	87.5 (3)	O15—C56—C53	116.1 (9)
O16^vi—Cd5—N10	98.3 (3)	N2—C57—N3	109.7 (7)
N8—Cd5—N10	166.7 (3)	N2—C57—H57A	125.2
O12^v—Cd5—O10	88.0 (3)	N3—C57—H57A	125.2
O16^vi—Cd5—O10	174.3 (2)	N3—C58—N1	118.4 (8)
N8—Cd5—O10	85.3 (2)	N3—C58—H58A	120.8
N10—Cd5—O10	86.9 (2)	N1—C58—H58A	120.8
O12^v—Cd5—O14	173.9 (2)	N6—C59—N5	114.9 (9)
O16^vi—Cd5—O14	83.6 (3)	N6—C59—H59A	122.6
N8—Cd5—O14	82.8 (3)	N5—C59—H59A	122.6
N10—Cd5—O14	87.1 (2)	N4—C60—N6	109.2 (8)
O10—Cd5—O14	94.3 (2)	N4—C60—H60A	125.4
N11—Cd6—N3^vii	167.1 (3)	N6—C60—H60A	125.4
N11—Cd6—O15^vi	87.2 (2)	N8—C61—N9	111.3 (8)
N3^vii—Cd6—O15^vi	80.2 (3)	N8—C61—H61A	124.4
N11—Cd6—O20	89.2 (3)	N9—C61—H61A	124.4
N3^vii—Cd6—O20	93.8 (3)	N7—C62—N9	116.0 (9)
O15^vi—Cd6—O20	115.9 (3)	N7—C62—H62A	122.0
N11—Cd6—O13	100.8 (3)	N9—C62—H62A	122.0
N3^vii—Cd6—O13	91.9 (3)	N12—C63—N11	117.2 (9)
O15^vi—Cd6—O13	156.5 (2)	N12—C63—H63A	121.4
O20—Cd6—O13	86.5 (3)	N11—C63—H63A	121.4
N11—Cd6—O14	87.6 (2)	N10—C64—N12	110.7 (8)
N3^vii—Cd6—O14	97.9 (2)	N10—C64—H64A	124.6
O15^vi—Cd6—O14	103.2 (2)	N12—C64—H64A	124.6
O20—Cd6—O14	140.5 (3)	O17—C65—N13	125.5 (10)
O13—Cd6—O14	55.7 (2)	O17—C65—H65A	117.3
N11—Cd6—C43	94.4 (3)	N13—C65—H65A	117.3
N3^vii—Cd6—C43	95.9 (3)	N13—C66—H66A	109.5
O15^vi—Cd6—C43	130.9 (3)	N13—C66—H66B	109.5
O20—Cd6—C43	113.2 (3)	H66A—C66—H66B	109.5
O13—Cd6—C43	27.5 (2)	N13—C66—H66C	109.5
O14—Cd6—C43	28.2 (3)	H66A—C66—H66C	109.5
O1—C1—O2	120.9 (8)	H66B—C66—H66C	109.5
O1—C1—C2	119.4 (8)	N13—C67—H67A	109.5
O2—C1—C2	119.7 (8)	N13—C67—H67B	109.5
O1—C1—Cd1	59.9 (5)	H67A—C67—H67B	109.5
O2—C1—Cd1	61.1 (5)	N13—C67—H67C	109.5
C2—C1—Cd1	178.6 (7)	H67A—C67—H67C	109.5
C3—C2—C7	119.7 (9)	H67B—C67—H67C	109.5
C3—C2—C1	121.0 (9)	N14—C68—O18	124.0 (11)
C7—C2—C1	119.3 (9)	N14—C68—H68A	118.0
C4—C3—C2	119.0 (9)	O18—C68—H68A	118.0
C4—C3—H3A	120.5	N14—C69—H69A	109.5
C2—C3—H3A	120.5	N14—C69—H69B	109.5
F1—C4—C5	118.4 (9)	H69A—C69—H69B	109.5
F1—C4—C3	118.6 (9)	N14—C69—H69C	109.5
C5—C4—C3	122.9 (10)	H69A—C69—H69C	109.5
F1—C4—H4A	3.1	H69B—C69—H69C	109.5
C5—C4—H4A	118.6	N14—C70—H70A	109.5
C3—C4—H4A	118.6	N14—C70—H70B	109.5
C4—C5—C6	117.2 (10)	H70A—C70—H70B	109.5
C4—C5—C8	121.6 (10)	N14—C70—H70C	109.5
C6—C5—C8	121.1 (10)	H70A—C70—H70C	109.5
F1A—C6—C7	120.7 (15)	H70B—C70—H70C	109.5
F1A—C6—C5	116.2 (13)	O19—C71—N15	126.7 (10)
C7—C6—C5	121.3 (10)	O19—C71—H71A	116.6
F1A—C6—H6A	13.9	N15—C71—H71A	116.6
C7—C6—H6A	119.4	N15—C72—H72A	109.5
C5—C6—H6A	119.4	N15—C72—H72B	109.5
C6—C7—C2	119.9 (10)	H72A—C72—H72B	109.5
C6—C7—H7A	120.0	N15—C72—H72C	109.5
C2—C7—H7A	120.0	H72A—C72—H72C	109.5
C13—C8—C9	115.7 (10)	H72B—C72—H72C	109.5
C13—C8—C5	122.3 (10)	N15—C73—H73A	109.5
C9—C8—C5	121.8 (10)	N15—C73—H73B	109.5
F2A—C9—C10	116.1 (14)	H73A—C73—H73B	109.5
F2A—C9—C8	121.6 (13)	N15—C73—H73C	109.5
C10—C9—C8	122.0 (10)	H73A—C73—H73C	109.5
F2A—C9—H9A	6.4	H73B—C73—H73C	109.5
C10—C9—H9A	119.0	O20—C74—N16	124.7 (12)
C8—C9—H9A	119.0	O20—C74—H74A	117.7
C9—C10—C11	120.3 (10)	N16—C74—H74A	117.7
C9—C10—H10A	119.8	N16—C75—H75A	109.5
C11—C10—H10A	119.8	N16—C75—H75B	109.5
C12—C11—C10	119.8 (9)	H75A—C75—H75B	109.5
C12—C11—C14	120.0 (10)	N16—C75—H75C	109.5
C10—C11—C14	120.2 (10)	H75A—C75—H75C	109.5
C11—C12—C13	118.2 (10)	H75B—C75—H75C	109.5
C11—C12—H12A	120.9	N16—C76—H76A	109.5
C13—C12—H12A	120.9	N16—C76—H76B	109.5
F2—C13—C8	119.6 (10)	H76A—C76—H76B	109.5
F2—C13—C12	116.5 (10)	N16—C76—H76C	109.5
C8—C13—C12	123.8 (11)	H76A—C76—H76C	109.5
F2—C13—H13A	3.1	H76B—C76—H76C	109.5
C8—C13—H13A	118.1	C1—O1—Cd1	93.1 (5)
C12—C13—H13A	118.1	C1—O2—Cd1	90.7 (5)
O4—C14—O3	127.8 (9)	C1—O2—Cd2	140.7 (6)
O4—C14—C11	114.2 (9)	Cd1—O2—Cd2	99.0 (2)
O3—C14—C11	118.0 (9)	C14—O3—Cd3^ix	124.4 (6)
O5—C15—O6	128.6 (9)	C14—O4—Cd2^ix	130.8 (7)
O5—C15—C16	118.2 (9)	C15—O5—Cd1	122.6 (6)
O6—C15—C16	113.1 (9)	C15—O6—Cd2	132.2 (6)
C17—C16—C21	120.2 (9)	C28—O7—Cd3^viii	90.9 (5)
C17—C16—C15	119.0 (9)	C28—O8—Cd3^viii	91.8 (5)
C21—C16—C15	120.7 (9)	C28—O8—Cd2^viii	155.0 (6)
C16—C17—C18	119.7 (9)	Cd3^viii—O8—Cd2^viii	98.4 (2)
C16—C17—H17A	120.2	C29—O9—Cd4	93.4 (5)
C18—C17—H17A	120.2	C29—O10—Cd5	141.1 (6)
F3—C18—C17	119.6 (8)	C29—O10—Cd4	91.0 (5)
F3—C18—C19	119.7 (8)	Cd5—O10—Cd4	99.6 (2)
C17—C18—C19	120.7 (9)	C42—O11—Cd4^x	126.5 (7)
C20—C19—C18	118.2 (9)	C42—O12—Cd5^x	130.4 (7)
C20—C19—C22	120.5 (9)	C43—O13—Cd6	93.1 (5)
C18—C19—C22	121.3 (9)	C43—O14—Cd6	89.8 (5)
C19—C20—C21	121.2 (9)	C43—O14—Cd5	150.5 (5)
C19—C20—H20A	119.4	Cd6—O14—Cd5	97.8 (2)
C21—C20—H20A	119.4	C56—O15—Cd6^xi	119.4 (6)
C16—C21—C20	119.9 (9)	C56—O16—Cd5^xi	130.2 (7)
C16—C21—H21A	120.0	C65—O17—Cd1	118.0 (6)
C20—C21—H21A	120.0	C68—O18—Cd3	115.6 (7)
C23—C22—C27	116.0 (9)	C71—O19—Cd4	118.6 (6)
C23—C22—C19	123.0 (9)	C74—O20—Cd6	117.9 (7)
C27—C22—C19	120.7 (9)	C58—N1—N2	100.2 (7)
F4A—C23—C22	118.2 (10)	C58—N1—Cd1	145.6 (7)
F4A—C23—C24	118.3 (11)	N2—N1—Cd1	114.2 (5)
C22—C23—C24	123.5 (10)	C57—N2—N1	109.0 (7)
F4A—C23—H23A	0.3	C57—N2—Cd2	123.3 (6)
C22—C23—H23A	118.2	N1—N2—Cd2	125.3 (5)
C24—C23—H23A	118.2	C58—N3—C57	102.8 (7)
C25—C24—C23	118.9 (10)	C58—N3—Cd6^xii	134.0 (6)
C25—C24—H24A	120.6	C57—N3—Cd6^xii	121.1 (6)
C23—C24—H24A	120.6	C60—N4—N5	107.9 (7)
C24—C25—C26	120.2 (9)	C60—N4—Cd2	125.2 (7)
C24—C25—C28	120.6 (9)	N5—N4—Cd2	124.3 (5)
C26—C25—C28	119.1 (8)	C59—N5—N4	105.0 (7)
C25—C26—C27	119.2 (9)	C59—N5—Cd3	139.9 (7)
C25—C26—H26A	120.4	N4—N5—Cd3	114.9 (6)
C27—C26—H26A	120.4	C59—N6—C60	103.0 (8)
F4—C27—C26	120.0 (10)	C59—N6—Cd4^xiii	133.0 (7)
F4—C27—C22	117.8 (9)	C60—N6—Cd4^xiii	123.9 (6)
C26—C27—C22	122.1 (9)	C62—N7—N8	105.0 (8)
F4—C27—H27A	2.9	C62—N7—Cd4	143.0 (7)
C26—C27—H27A	119.0	N8—N7—Cd4	112.0 (6)
C22—C27—H27A	119.0	C61—N8—N7	106.7 (7)
O7—C28—O8	122.2 (8)	C61—N8—Cd5	124.1 (6)
O7—C28—C25	118.0 (8)	N7—N8—Cd5	128.2 (5)
O8—C28—C25	119.7 (8)	C62—N9—C61	100.8 (7)
O7—C28—Cd3^viii	61.8 (5)	C62—N9—Cd3	132.7 (6)
O8—C28—Cd3^viii	60.4 (4)	C61—N9—Cd3	123.9 (6)
C25—C28—Cd3^viii	175.5 (6)	C64—N10—N11	106.5 (7)
O9—C29—O10	120.2 (8)	C64—N10—Cd5	125.4 (6)
O9—C29—C30	120.1 (8)	N11—N10—Cd5	123.6 (5)
O10—C29—C30	119.8 (8)	C63—N11—N10	102.4 (7)
O9—C29—Cd4	59.1 (5)	C63—N11—Cd6	142.6 (6)
O10—C29—Cd4	61.1 (5)	N10—N11—Cd6	114.7 (5)
C30—C29—Cd4	177.7 (6)	C63—N12—C64	103.0 (8)
C31—C30—C35	120.0 (9)	C63—N12—Cd1^xiv	133.6 (7)
C31—C30—C29	120.3 (9)	C64—N12—Cd1^xiv	123.0 (6)
C35—C30—C29	119.7 (9)	C65—N13—C66	123.8 (10)
C30—C31—C32	119.5 (10)	C65—N13—C67	118.1 (10)
C30—C31—H31A	120.3	C66—N13—C67	118.1 (10)
C32—C31—H31A	120.3	C68—N14—C69	122.7 (11)
F5A—C32—C31	120.4 (11)	C68—N14—C70	120.1 (11)
F5A—C32—C33	116.9 (10)	C69—N14—C70	117.2 (11)
C31—C32—C33	122.5 (10)	C71—N15—C72	121.2 (10)
F5A—C32—H32A	5.3	C71—N15—C73	122.2 (10)
C31—C32—H32A	118.7	C72—N15—C73	116.4 (10)
C33—C32—H32A	118.7	C74—N16—C76	122.7 (11)
C32—C33—C34	116.7 (9)	C74—N16—C75	120.0 (11)
C32—C33—C36	122.5 (9)	C76—N16—C75	117.4 (10)
N1—Cd1—C1—O1	−94.9 (6)	N2—Cd2—O6—C15	18.5 (10)
N12^i—Cd1—C1—O1	84.0 (6)	N4—Cd2—O6—C15	−150.4 (10)
O5—Cd1—C1—O1	173.2 (5)	O4^ii—Cd2—O6—C15	110.0 (9)
O17—Cd1—C1—O1	−3.2 (8)	O2—Cd2—O6—C15	−64.7 (9)
O2—Cd1—C1—O1	178.5 (8)	O8^iii—Cd2—O6—C15	−157.8 (18)
N1—Cd1—C1—O2	86.6 (5)	O8—C28—O7—Cd3^viii	1.9 (9)
N12^i—Cd1—C1—O2	−94.5 (5)	C25—C28—O7—Cd3^viii	−175.0 (7)
O5—Cd1—C1—O2	−5.3 (6)	O7—C28—O8—Cd3^viii	−2.0 (9)
O17—Cd1—C1—O2	178.3 (4)	C25—C28—O8—Cd3^viii	174.9 (7)
O1—Cd1—C1—O2	−178.5 (8)	O7—C28—O8—Cd2^viii	112.4 (13)
N1—Cd1—C1—C2	−36 (28)	C25—C28—O8—Cd2^viii	−70.8 (16)
N12^i—Cd1—C1—C2	143 (28)	Cd3^viii—C28—O8—Cd2^viii	114.4 (13)
O5—Cd1—C1—C2	−128 (28)	O10—C29—O9—Cd4	2.4 (9)
O17—Cd1—C1—C2	56 (28)	C30—C29—O9—Cd4	−177.5 (7)
O1—Cd1—C1—C2	59 (28)	N6^iv—Cd4—O9—C29	95.1 (6)
O2—Cd1—C1—C2	−122 (28)	O11^v—Cd4—O9—C29	12.5 (9)
O1—C1—C2—C3	178.4 (9)	N7—Cd4—O9—C29	−87.1 (6)
O2—C1—C2—C3	−1.8 (13)	O19—Cd4—O9—C29	179.2 (5)
Cd1—C1—C2—C3	120 (28)	O10—Cd4—O9—C29	−1.3 (5)
O1—C1—C2—C7	0.9 (13)	O9—C29—O10—Cd5	104.5 (10)
O2—C1—C2—C7	−179.3 (9)	C30—C29—O10—Cd5	−75.7 (12)
Cd1—C1—C2—C7	−58 (28)	Cd4—C29—O10—Cd5	106.8 (9)
C7—C2—C3—C4	1.4 (14)	O9—C29—O10—Cd4	−2.3 (8)
C1—C2—C3—C4	−176.1 (9)	C30—C29—O10—Cd4	177.5 (7)
C2—C3—C4—F1	177.0 (10)	O12^v—Cd5—O10—C29	−165.8 (10)
C2—C3—C4—C5	0.6 (16)	O16^vi—Cd5—O10—C29	−48 (3)
F1—C4—C5—C6	−178.4 (11)	N8—Cd5—O10—C29	−62.6 (10)
C3—C4—C5—C6	−1.9 (17)	N10—Cd5—O10—C29	106.6 (10)
F1—C4—C5—C8	−2.4 (16)	O14—Cd5—O10—C29	19.8 (10)
C3—C4—C5—C8	174.0 (10)	O12^v—Cd5—O10—Cd4	−62.0 (3)
C4—C5—C6—F1A	165.9 (16)	O16^vi—Cd5—O10—Cd4	56 (3)
C8—C5—C6—F1A	−10 (2)	N8—Cd5—O10—Cd4	41.2 (3)
C4—C5—C6—C7	1.3 (18)	N10—Cd5—O10—Cd4	−149.5 (3)
C8—C5—C6—C7	−174.7 (11)	O14—Cd5—O10—Cd4	123.7 (2)
F1A—C6—C7—C2	−163.3 (16)	N6^iv—Cd4—O10—C29	−79.9 (5)
C5—C6—C7—C2	0.6 (18)	O11^v—Cd4—O10—C29	−172.2 (5)
C3—C2—C7—C6	−2.0 (16)	N7—Cd4—O10—C29	95.0 (5)
C1—C2—C7—C6	175.6 (10)	O19—Cd4—O10—C29	25 (12)
C4—C5—C8—C13	131.2 (12)	O9—Cd4—O10—C29	1.3 (5)
C6—C5—C8—C13	−53.0 (16)	N6^iv—Cd4—O10—Cd5	137.6 (3)
C4—C5—C8—C9	−53.3 (16)	O11^v—Cd4—O10—Cd5	45.3 (3)
C6—C5—C8—C9	122.5 (13)	N7—Cd4—O10—Cd5	−47.5 (3)
C13—C8—C9—F2A	175.3 (18)	O19—Cd4—O10—Cd5	−117 (11)
C5—C8—C9—F2A	0 (2)	O9—Cd4—O10—Cd5	−141.1 (3)
C13—C8—C9—C10	2.2 (16)	C29—Cd4—O10—Cd5	−142.4 (6)
C5—C8—C9—C10	−173.6 (10)	O12—C42—O11—Cd4^x	40.7 (16)
F2A—C9—C10—C11	−175.6 (16)	C39—C42—O11—Cd4^x	−139.4 (7)
C8—C9—C10—C11	−2.1 (17)	O11—C42—O12—Cd5^x	−1.0 (18)
C9—C10—C11—C12	−0.7 (16)	C39—C42—O12—Cd5^x	179.1 (7)
C9—C10—C11—C14	178.7 (10)	O14—C43—O13—Cd6	−1.5 (8)
C10—C11—C12—C13	3.2 (16)	C44—C43—O13—Cd6	−176.9 (7)
C14—C11—C12—C13	−176.1 (10)	N11—Cd6—O13—C43	−78.7 (5)
C9—C8—C13—F2	177.5 (11)	N3^vii—Cd6—O13—C43	99.1 (5)
C5—C8—C13—F2	−6.8 (18)	O15^vi—Cd6—O13—C43	29.7 (9)
C9—C8—C13—C12	0.5 (18)	O20—Cd6—O13—C43	−167.1 (6)
C5—C8—C13—C12	176.3 (11)	O14—Cd6—O13—C43	0.9 (5)
C11—C12—C13—F2	179.7 (11)	O13—C43—O14—Cd6	1.5 (8)
C11—C12—C13—C8	−3.2 (18)	C44—C43—O14—Cd6	176.8 (7)
C12—C11—C14—O4	144.1 (10)	O13—C43—O14—Cd5	107.0 (12)
C10—C11—C14—O4	−35.3 (14)	C44—C43—O14—Cd5	−77.6 (14)
C12—C11—C14—O3	−33.7 (14)	Cd6—C43—O14—Cd5	105.5 (12)
C10—C11—C14—O3	146.9 (10)	N11—Cd6—O14—C43	104.0 (5)
O5—C15—C16—C17	14.1 (14)	N3^vii—Cd6—O14—C43	−87.7 (5)
O6—C15—C16—C17	−162.0 (9)	O15^vi—Cd6—O14—C43	−169.4 (5)
O5—C15—C16—C21	−170.7 (9)	O20—Cd6—O14—C43	18.2 (7)
O6—C15—C16—C21	13.2 (13)	O13—Cd6—O14—C43	−0.8 (5)
C21—C16—C17—C18	−1.0 (15)	N11—Cd6—O14—Cd5	−47.4 (2)
C15—C16—C17—C18	174.3 (9)	N3^vii—Cd6—O14—Cd5	120.9 (2)
C16—C17—C18—F3	177.8 (9)	O15^vi—Cd6—O14—Cd5	39.2 (3)
C16—C17—C18—C19	0.5 (15)	O20—Cd6—O14—Cd5	−133.2 (4)
F3—C18—C19—C20	−175.3 (10)	O13—Cd6—O14—Cd5	−152.2 (3)
C17—C18—C19—C20	1.9 (16)	C43—Cd6—O14—Cd5	−151.4 (6)
F3—C18—C19—C22	5.6 (16)	O12^v—Cd5—O14—C43	−91 (3)
C17—C18—C19—C22	−177.2 (9)	O16^vi—Cd5—O14—C43	−163.9 (12)
C18—C19—C20—C21	−3.9 (16)	N8—Cd5—O14—C43	106.2 (12)
C22—C19—C20—C21	175.1 (10)	N10—Cd5—O14—C43	−65.2 (12)
C17—C16—C21—C20	−1.0 (15)	O10—Cd5—O14—C43	21.5 (12)
C15—C16—C21—C20	−176.2 (9)	O12^v—Cd5—O14—Cd6	13 (3)
C19—C20—C21—C16	3.6 (16)	O16^vi—Cd5—O14—Cd6	−60.4 (2)
C20—C19—C22—C23	−120.1 (12)	N8—Cd5—O14—Cd6	−150.3 (3)
C18—C19—C22—C23	58.9 (15)	N10—Cd5—O14—Cd6	38.3 (2)
C20—C19—C22—C27	52.8 (14)	O10—Cd5—O14—Cd6	125.0 (2)
C18—C19—C22—C27	−128.2 (11)	O16—C56—O15—Cd6^xi	30.6 (13)
C27—C22—C23—F4A	177.0 (11)	C53—C56—O15—Cd6^xi	−150.0 (6)
C19—C22—C23—F4A	−9.8 (17)	O15—C56—O16—Cd5^xi	26.1 (16)
C27—C22—C23—C24	−2.6 (16)	C53—C56—O16—Cd5^xi	−153.3 (7)
C19—C22—C23—C24	170.6 (10)	N13—C65—O17—Cd1	−147.7 (9)
F4A—C23—C24—C25	−177.7 (12)	N1—Cd1—O17—C65	−45.9 (8)
C22—C23—C24—C25	1.9 (18)	N12^i—Cd1—O17—C65	136.5 (8)
C23—C24—C25—C26	1.2 (16)	O5—Cd1—O17—C65	46.8 (7)
C23—C24—C25—C28	−176.7 (10)	O1—Cd1—O17—C65	−137.7 (7)
C24—C25—C26—C27	−3.5 (15)	O2—Cd1—O17—C65	−129.9 (17)
C28—C25—C26—C27	174.4 (9)	C1—Cd1—O17—C65	−136.1 (7)
C25—C26—C27—F4	179.6 (11)	N14—C68—O18—Cd3	−155.3 (12)
C25—C26—C27—C22	2.8 (15)	N5—Cd3—O18—C68	118.0 (10)
C23—C22—C27—F4	−176.7 (11)	N9—Cd3—O18—C68	−71.7 (10)
C19—C22—C27—F4	9.9 (16)	O3^ii—Cd3—O18—C68	−152.7 (9)
C23—C22—C27—C26	0.2 (15)	O8^iii—Cd3—O18—C68	31.9 (11)
C19—C22—C27—C26	−173.2 (10)	O7^iii—Cd3—O18—C68	14.0 (10)
C24—C25—C28—O7	11.8 (14)	C28^iii—Cd3—O18—C68	20.3 (10)
C26—C25—C28—O7	−166.1 (9)	N15—C71—O19—Cd4	155.4 (10)
C24—C25—C28—O8	−165.1 (9)	N6^iv—Cd4—O19—C71	−138.7 (8)
C26—C25—C28—O8	16.9 (13)	O11^v—Cd4—O19—C71	−46.5 (8)
C24—C25—C28—Cd3^viii	−75 (9)	N7—Cd4—O19—C71	46.4 (8)
C26—C25—C28—Cd3^viii	107 (9)	O9—Cd4—O19—C71	139.7 (8)
N6^iv—Cd4—C29—O9	−82.6 (6)	O10—Cd4—O19—C71	116 (11)
O11^v—Cd4—C29—O9	−172.9 (5)	C29—Cd4—O19—C71	140.4 (8)
N7—Cd4—C29—O9	93.3 (6)	N16—C74—O20—Cd6	153.1 (12)
O19—Cd4—C29—O9	−1.3 (9)	N11—Cd6—O20—C74	−106.0 (10)
O10—Cd4—C29—O9	177.7 (8)	N3^vii—Cd6—O20—C74	86.5 (10)
N6^iv—Cd4—C29—O10	99.7 (5)	O15^vi—Cd6—O20—C74	167.5 (9)
O11^v—Cd4—C29—O10	9.4 (6)	O13—Cd6—O20—C74	−5.1 (9)
N7—Cd4—C29—O10	−84.4 (5)	O14—Cd6—O20—C74	−20.8 (11)
O19—Cd4—C29—O10	−179.0 (5)	C43—Cd6—O20—C74	−11.5 (10)
O9—Cd4—C29—O10	−177.7 (8)	N3—C58—N1—N2	0.6 (10)
N6^iv—Cd4—C29—C30	−12 (17)	N3—C58—N1—Cd1	−175.7 (8)
O11^v—Cd4—C29—C30	−102 (17)	N12^i—Cd1—N1—C58	83 (6)
N7—Cd4—C29—C30	164 (17)	O5—Cd1—N1—C58	−126.2 (11)
O19—Cd4—C29—C30	69 (17)	O17—Cd1—N1—C58	−39.2 (11)
O9—Cd4—C29—C30	71 (17)	O1—Cd1—N1—C58	78.1 (11)
O10—Cd4—C29—C30	−112 (17)	O2—Cd1—N1—C58	133.3 (11)
O9—C29—C30—C31	5.1 (14)	C1—Cd1—N1—C58	105.0 (11)
O10—C29—C30—C31	−174.7 (9)	N12^i—Cd1—N1—N2	−93 (6)
Cd4—C29—C30—C31	−64 (17)	O5—Cd1—N1—N2	57.8 (6)
O9—C29—C30—C35	−173.4 (9)	O17—Cd1—N1—N2	144.8 (6)
O10—C29—C30—C35	6.8 (14)	O1—Cd1—N1—N2	−97.9 (6)
Cd4—C29—C30—C35	117 (17)	O2—Cd1—N1—N2	−42.7 (6)
C35—C30—C31—C32	0.1 (16)	C1—Cd1—N1—N2	−71.0 (6)
C29—C30—C31—C32	−178.4 (10)	N3—C57—N2—N1	−0.2 (10)
C30—C31—C32—F5A	178.1 (12)	N3—C57—N2—Cd2	163.0 (6)
C30—C31—C32—C33	3.9 (17)	C58—N1—N2—C57	−0.2 (10)
F5A—C32—C33—C34	−179.2 (11)	Cd1—N1—N2—C57	177.5 (6)
C31—C32—C33—C34	−4.8 (16)	C58—N1—N2—Cd2	−163.0 (6)
F5A—C32—C33—C36	−4.1 (17)	Cd1—N1—N2—Cd2	14.7 (9)
C31—C32—C33—C36	170.3 (10)	O6—Cd2—N2—C57	137.3 (7)
C32—C33—C34—F5	175.0 (15)	N4—Cd2—N2—C57	−93.4 (14)
C36—C33—C34—F5	−0.2 (19)	O4^ii—Cd2—N2—C57	42.2 (8)
C32—C33—C34—C35	1.9 (16)	O2—Cd2—N2—C57	−138.5 (8)
C36—C33—C34—C35	−173.3 (10)	O8^iii—Cd2—N2—C57	−43.2 (7)
F5—C34—C35—C30	−170.9 (16)	O6—Cd2—N2—N1	−62.2 (7)
C33—C34—C35—C30	1.9 (17)	N4—Cd2—N2—N1	67.1 (14)
C31—C30—C35—C34	−2.9 (16)	O4^ii—Cd2—N2—N1	−157.3 (7)
C29—C30—C35—C34	175.6 (10)	O2—Cd2—N2—N1	22.0 (7)
C32—C33—C36—C37	62.4 (15)	O8^iii—Cd2—N2—N1	117.3 (7)
C34—C33—C36—C37	−122.7 (12)	N1—C58—N3—C57	−0.7 (10)
C32—C33—C36—C41	−115.3 (12)	N1—C58—N3—Cd6^xii	−163.6 (6)
C34—C33—C36—C41	59.6 (15)	N2—C57—N3—C58	0.5 (10)
C41—C36—C37—F6	−177.8 (10)	N2—C57—N3—Cd6^xii	166.3 (6)
C33—C36—C37—F6	4.4 (16)	N6—C60—N4—N5	2.4 (10)
C41—C36—C37—C38	2.2 (17)	N6—C60—N4—Cd2	164.9 (6)
C33—C36—C37—C38	−175.6 (10)	O6—Cd2—N4—C60	37.2 (8)
C36—C37—C38—C39	1.8 (17)	N2—Cd2—N4—C60	−93.7 (13)
F6—C37—C38—C39	−178.2 (9)	O4^ii—Cd2—N4—C60	131.5 (8)
C37—C38—C39—C40	−3.8 (16)	O2—Cd2—N4—C60	−48.6 (8)
C37—C38—C39—C42	173.0 (9)	O8^iii—Cd2—N4—C60	−143.7 (8)
C38—C39—C40—C41	1.8 (17)	O6—Cd2—N4—N5	−163.0 (7)
C42—C39—C40—C41	−175.0 (10)	N2—Cd2—N4—N5	66.1 (15)
C39—C40—C41—C36	2.4 (18)	O4^ii—Cd2—N4—N5	−68.7 (7)
C37—C36—C41—C40	−4.3 (17)	O2—Cd2—N4—N5	111.2 (7)
C33—C36—C41—C40	173.6 (11)	O8^iii—Cd2—N4—N5	16.1 (7)
C38—C39—C42—O11	16.6 (15)	N6—C59—N5—N4	0.3 (11)
C40—C39—C42—O11	−166.5 (10)	N6—C59—N5—Cd3	174.1 (7)
C38—C39—C42—O12	−163.4 (10)	C60—N4—N5—C59	−1.6 (10)
C40—C39—C42—O12	13.4 (15)	Cd2—N4—N5—C59	−164.4 (7)
N11—Cd6—C43—O13	105.0 (5)	C60—N4—N5—Cd3	−177.3 (6)
N3^vii—Cd6—C43—O13	−82.8 (5)	Cd2—N4—N5—Cd3	20.0 (9)
O15^vi—Cd6—C43—O13	−164.9 (5)	N9—Cd3—N5—C59	−98 (2)
O20—Cd6—C43—O13	14.0 (6)	O18—Cd3—N5—C59	0.0 (11)
O14—Cd6—C43—O13	−178.5 (8)	O3^ii—Cd3—N5—C59	−117.0 (11)
N11—Cd6—C43—O14	−76.5 (5)	O8^iii—Cd3—N5—C59	141.5 (11)
N3^vii—Cd6—C43—O14	95.7 (5)	O7^iii—Cd3—N5—C59	88.5 (11)
O15^vi—Cd6—C43—O14	13.7 (6)	C28^iii—Cd3—N5—C59	115.3 (11)
O20—Cd6—C43—O14	−167.5 (5)	N9—Cd3—N5—N4	75.9 (19)
O13—Cd6—C43—O14	178.5 (8)	O18—Cd3—N5—N4	173.4 (6)
N11—Cd6—C43—C44	160 (12)	O3^ii—Cd3—N5—N4	56.4 (6)
N3^vii—Cd6—C43—C44	−27 (12)	O8^iii—Cd3—N5—N4	−45.1 (6)
O15^vi—Cd6—C43—C44	−109 (12)	O7^iii—Cd3—N5—N4	−98.1 (6)
O20—Cd6—C43—C44	69 (12)	C28^iii—Cd3—N5—N4	−71.3 (6)
O13—Cd6—C43—C44	55 (12)	N5—C59—N6—C60	1.1 (11)
O14—Cd6—C43—C44	−123 (12)	N5—C59—N6—Cd4^xiii	177.1 (7)
O13—C43—C44—C49	−0.7 (14)	N4—C60—N6—C59	−2.1 (11)
O14—C43—C44—C49	−176.2 (9)	N4—C60—N6—Cd4^xiii	−178.6 (6)
Cd6—C43—C44—C49	−55 (12)	N9—C62—N7—N8	−0.8 (11)
O13—C43—C44—C45	−177.7 (9)	N9—C62—N7—Cd4	179.5 (8)
O14—C43—C44—C45	6.8 (13)	N6^iv—Cd4—N7—C62	−60 (4)
Cd6—C43—C44—C45	128 (12)	O11^v—Cd4—N7—C62	122.0 (12)
C49—C44—C45—C46	−0.2 (15)	O19—Cd4—N7—C62	38.1 (12)
C43—C44—C45—C46	176.8 (9)	O9—Cd4—N7—C62	−85.6 (12)
C44—C45—C46—F7	−179.2 (9)	O10—Cd4—N7—C62	−140.8 (12)
C44—C45—C46—C47	−1.3 (16)	C29—Cd4—N7—C62	−113.0 (12)
F7—C46—C47—C48	179.1 (10)	N6^iv—Cd4—N7—N8	120 (3)
C45—C46—C47—C48	1.3 (17)	O11^v—Cd4—N7—N8	−57.7 (6)
F7—C46—C47—C50	3.3 (16)	O19—Cd4—N7—N8	−141.6 (6)
C45—C46—C47—C50	−174.6 (10)	O9—Cd4—N7—N8	94.7 (6)
C46—C47—C48—C49	0.3 (18)	O10—Cd4—N7—N8	39.5 (6)
C50—C47—C48—C49	176.3 (11)	C29—Cd4—N7—N8	67.3 (6)
C47—C48—C49—C44	−1.7 (19)	N9—C61—N8—N7	3.3 (10)
C45—C44—C49—C48	1.7 (17)	N9—C61—N8—Cd5	−166.1 (6)
C43—C44—C49—C48	−175.4 (10)	C62—N7—N8—C61	−1.6 (10)
C46—C47—C50—C51	52.8 (16)	Cd4—N7—N8—C61	178.2 (6)
C48—C47—C50—C51	−123.0 (12)	C62—N7—N8—Cd5	167.2 (6)
C46—C47—C50—C55	−128.5 (12)	Cd4—N7—N8—Cd5	−12.9 (9)
C48—C47—C50—C55	55.7 (16)	O12^v—Cd5—N8—C61	−127.7 (8)
C55—C50—C51—F8A	−176.6 (11)	O16^vi—Cd5—N8—C61	−33.2 (8)
C47—C50—C51—F8A	2.2 (17)	N10—Cd5—N8—C61	91.2 (13)
C55—C50—C51—C52	−5.8 (17)	O10—Cd5—N8—C61	145.4 (8)
C47—C50—C51—C52	173.0 (10)	O14—Cd5—N8—C61	50.5 (7)
C50—C51—C52—C53	4.7 (17)	O12^v—Cd5—N8—N7	65.2 (8)
F8A—C51—C52—C53	175.6 (10)	O16^vi—Cd5—N8—N7	159.7 (8)
C51—C52—C53—C54	−0.6 (16)	N10—Cd5—N8—N7	−75.9 (14)
C51—C52—C53—C56	−175.6 (9)	O10—Cd5—N8—N7	−21.7 (7)
C52—C53—C54—C55	−2.0 (17)	O14—Cd5—N8—N7	−116.6 (8)
C56—C53—C54—C55	172.9 (10)	N7—C62—N9—C61	2.6 (11)
C53—C54—C55—F8	176.4 (14)	N7—C62—N9—Cd3	164.3 (7)
C53—C54—C55—C50	0.8 (18)	N8—C61—N9—C62	−3.6 (10)
C51—C50—C55—F8	−172.6 (14)	N8—C61—N9—Cd3	−167.4 (6)
C47—C50—C55—F8	9 (2)	N5—Cd3—N9—C62	−110.4 (18)
C51—C50—C55—C54	3.0 (17)	O18—Cd3—N9—C62	152.2 (9)
C47—C50—C55—C54	−175.8 (11)	O3^ii—Cd3—N9—C62	−90.6 (9)
C54—C53—C56—O16	−142.5 (11)	O8^iii—Cd3—N9—C62	9.9 (9)
C52—C53—C56—O16	32.3 (13)	O7^iii—Cd3—N9—C62	63.8 (9)
C54—C53—C56—O15	38.0 (14)	C28^iii—Cd3—N9—C62	37.1 (9)
C52—C53—C56—O15	−147.2 (10)	N5—Cd3—N9—C61	48 (2)
O2—C1—O1—Cd1	1.6 (9)	O18—Cd3—N9—C61	−49.6 (7)
C2—C1—O1—Cd1	−178.6 (7)	O3^ii—Cd3—N9—C61	67.5 (7)
N1—Cd1—O1—C1	84.7 (6)	O8^iii—Cd3—N9—C61	168.0 (7)
N12^i—Cd1—O1—C1	−95.1 (6)	O7^iii—Cd3—N9—C61	−138.1 (7)
O5—Cd1—O1—C1	−12.9 (9)	C28^iii—Cd3—N9—C61	−164.8 (7)
O17—Cd1—O1—C1	177.9 (5)	N12—C64—N10—N11	−3.3 (10)
O2—Cd1—O1—C1	−0.9 (5)	N12—C64—N10—Cd5	−160.1 (6)
O1—C1—O2—Cd1	−1.5 (9)	O12^v—Cd5—N10—C64	−43.1 (7)
C2—C1—O2—Cd1	178.7 (7)	O16^vi—Cd5—N10—C64	−137.4 (7)
O1—C1—O2—Cd2	−106.7 (10)	N8—Cd5—N10—C64	99.0 (13)
C2—C1—O2—Cd2	73.5 (12)	O10—Cd5—N10—C64	45.0 (7)
Cd1—C1—O2—Cd2	−105.2 (8)	O14—Cd5—N10—C64	139.5 (7)
N1—Cd1—O2—C1	−92.0 (5)	O12^v—Cd5—N10—N11	163.9 (6)
N12^i—Cd1—O2—C1	85.8 (5)	O16^vi—Cd5—N10—N11	69.6 (6)
O5—Cd1—O2—C1	175.8 (5)	N8—Cd5—N10—N11	−54.0 (14)
O17—Cd1—O2—C1	−8 (2)	O10—Cd5—N10—N11	−108.0 (6)
O1—Cd1—O2—C1	0.8 (5)	O14—Cd5—N10—N11	−13.5 (6)
N1—Cd1—O2—Cd2	49.8 (3)	N12—C63—N11—N10	−3.3 (10)
N12^i—Cd1—O2—Cd2	−132.4 (2)	N12—C63—N11—Cd6	−176.0 (7)
O5—Cd1—O2—Cd2	−42.4 (3)	C64—N10—N11—C63	3.8 (9)
O17—Cd1—O2—Cd2	134.2 (17)	Cd5—N10—N11—C63	161.1 (6)
O1—Cd1—O2—Cd2	142.6 (3)	C64—N10—N11—Cd6	178.9 (5)
C1—Cd1—O2—Cd2	141.8 (6)	Cd5—N10—N11—Cd6	−23.8 (7)
O6—Cd2—O2—C1	162.7 (9)	N3^vii—Cd6—N11—C63	104.0 (15)
N2—Cd2—O2—C1	59.3 (9)	O15^vi—Cd6—N11—C63	116.2 (10)
N4—Cd2—O2—C1	−110.6 (9)	O20—Cd6—N11—C63	0.2 (10)
O4^ii—Cd2—O2—C1	68 (3)	O13—Cd6—N11—C63	−86.0 (10)
O8^iii—Cd2—O2—C1	−24.5 (9)	O14—Cd6—N11—C63	−140.4 (10)
O6—Cd2—O2—Cd1	60.4 (3)	C43—Cd6—N11—C63	−113.0 (10)
N2—Cd2—O2—Cd1	−43.0 (3)	N3^vii—Cd6—N11—N10	−68.1 (14)
N4—Cd2—O2—Cd1	147.2 (3)	O15^vi—Cd6—N11—N10	−55.8 (5)
O4^ii—Cd2—O2—Cd1	−35 (3)	O20—Cd6—N11—N10	−171.8 (6)
O8^iii—Cd2—O2—Cd1	−126.7 (2)	O13—Cd6—N11—N10	101.9 (5)
O4—C14—O3—Cd3^ix	−27.6 (15)	O14—Cd6—N11—N10	47.5 (5)
C11—C14—O3—Cd3^ix	149.9 (7)	C43—Cd6—N11—N10	74.9 (6)
O3—C14—O4—Cd2^ix	−22.9 (16)	N11—C63—N12—C64	1.4 (11)
C11—C14—O4—Cd2^ix	159.5 (7)	N11—C63—N12—Cd1^xiv	−171.5 (6)
O6—C15—O5—Cd1	40.3 (15)	N10—C64—N12—C63	1.3 (10)
C16—C15—O5—Cd1	−135.0 (7)	N10—C64—N12—Cd1^xiv	175.2 (5)
N1—Cd1—O5—C15	−98.9 (8)	O17—C65—N13—C66	1.2 (19)
N12^i—Cd1—O5—C15	79.7 (8)	O17—C65—N13—C67	179.5 (12)
O17—Cd1—O5—C15	168.5 (8)	O18—C68—N14—C69	−1 (2)
O1—Cd1—O5—C15	−1.9 (11)	O18—C68—N14—C70	178.9 (14)
O2—Cd1—O5—C15	−11.9 (8)	O19—C71—N15—C72	−1 (2)
C1—Cd1—O5—C15	−9.3 (9)	O19—C71—N15—C73	−175.9 (13)
O5—C15—O6—Cd2	6.9 (17)	O20—C74—N16—C76	0 (2)
C16—C15—O6—Cd2	−177.6 (6)	O20—C74—N16—C75	178.4 (13)

Symmetry codes: (i) x, y−1, z; (ii) x, −y+2, z−1/2; (iii) x+1/2, −y+3/2, z+1/2; (iv) x+1/2, y+1/2, z; (v) x, −y+3, z−1/2; (vi) x−1/2, −y+5/2, z−1/2; (vii) x−1/2, y+1/2, z; (viii) x−1/2, −y+3/2, z−1/2; (ix) x, −y+2, z+1/2; (x) x, −y+3, z+1/2; (xi) x+1/2, −y+5/2, z+1/2; (xii) x+1/2, y−1/2, z; (xiii) x−1/2, y−1/2, z; (xiv) x, y+1, z.