Bis{μ-2-[3-carboxyl-atometh-yl-4-(phenyl-sulfan-yl)phen-yl]propano-ato-κ(4)O,O':O'',O'''}bis-[(2,2'-bipyridine-κ(2)N,N')cadmium].

In the title complex, [Cd(2)(C(17)H(14)O(4)S)(2)(C(10)H(8)N(2))(2)], which was hydro-thermally synthesized, the Cd(II) cation is hexa-coordinated in a distorted octa-hedral geometry by two N atoms from a 2,2'-bipyridine ligand and by four O atoms from two different 2-[3-carboxyl-atometh-yl-4-(phenyl-sulfan-yl)phen-yl]propano-ate ligands, forming a cyclic dimetallic complex.

Related literature

For reviews of metal-organic network solids, see: Batten & Robson (1998 ▶); Lu (2003 ▶); Moulton & Zaworotko (2001 ▶); Pan et al. (2004 ▶). For the synthesis and structure of helical Cd complexes with related ligands, see: Wang et al. (2004 ▶).

Experimental

Crystal data

[Cd2(C17H14O4S)2(C10H8N2)2]

M = 1165.85

Monoclinic,

a = 13.567 (3) Å

b = 11.572 (3) Å

c = 15.595 (4) Å

β = 92.540 (3)°

V = 2446.2 (10) Å3

Z = 2

Mo Kα radiation

μ = 1.02 mm−1

T = 296 K

0.35 × 0.34 × 0.32 mm

Data collection

Bruker SMART BREEZE CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.718, T max = 0.737

14971 measured reflections

5706 independent reflections

4170 reflections with I > 2σ(I)

R int = 0.042

Refinement

R[F 2 > 2σ(F 2)] = 0.036

wR(F 2) = 0.090

S = 1.04

5706 reflections

329 parameters

3 restraints

Δρmax = 0.59 e Å−3

Δρmin = −0.67 e Å−3

Data collection: APEX2 (Bruker, 2009 ▶); cell refinement: SAINT (Bruker, 2009 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812013049/mw2060sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812013049/mw2060Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Cd2(C17H14O4S)2(C10H8N2)2]	F(000) = 1176
Mr = 1165.85	Dx = 1.583 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 6794 reflections
a = 13.567 (3) Å	θ = 2.3–27.8°
b = 11.572 (3) Å	µ = 1.02 mm−1
c = 15.595 (4) Å	T = 296 K
β = 92.540 (3)°	Block, colorless
V = 2446.2 (10) Å3	0.35 × 0.34 × 0.32 mm
Z = 2

Bruker SMART BREEZE CCD area-detector diffractometer	5706 independent reflections
Radiation source: fine-focus sealed tube	4170 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.042
phi and ω scans	θmax = 28.2°, θmin = 1.5°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −17→18
Tmin = 0.718, Tmax = 0.737	k = −9→15
14971 measured reflections	l = −20→20

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.036	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.090	H-atom parameters constrained
S = 1.04	w = 1/[σ2(Fo2) + (0.0222P)2 + 1.2239P] where P = (Fo2 + 2Fc2)/3
5706 reflections	(Δ/σ)max = 0.002
329 parameters	Δρmax = 0.59 e Å−3
3 restraints	Δρmin = −0.67 e Å−3

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 > 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.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cd1	−0.076611 (16)	0.93279 (2)	0.764046 (13)	0.04782 (9)
S1	0.27579 (6)	0.85650 (8)	0.73380 (5)	0.0515 (2)
N1	−0.00382 (18)	0.8216 (2)	0.87232 (14)	0.0398 (6)
N2	−0.14700 (19)	0.9786 (3)	0.89259 (15)	0.0453 (6)
O1	−0.17570 (19)	0.8271 (2)	0.67240 (15)	0.0656 (7)
O2	−0.22891 (18)	1.0016 (3)	0.69612 (15)	0.0637 (7)
O3	0.06431 (16)	0.9391 (2)	0.68258 (14)	0.0507 (6)
O4	0.03442 (16)	1.0841 (2)	0.76726 (15)	0.0525 (6)
C1	0.0686 (2)	0.7475 (3)	0.8589 (2)	0.0514 (8)
H1	0.0923	0.7415	0.8040	0.062*
C2	0.1096 (3)	0.6798 (3)	0.9225 (3)	0.0648 (10)
H2	0.1604	0.6288	0.9113	0.078*
C3	0.0746 (3)	0.6885 (4)	1.0030 (3)	0.0728 (12)
H3	0.1007	0.6422	1.0472	0.087*
C4	0.0007 (3)	0.7660 (3)	1.0185 (2)	0.0603 (10)
H4	−0.0235	0.7731	1.0731	0.072*
C5	−0.0371 (2)	0.8332 (3)	0.95146 (17)	0.0397 (7)
C6	−0.1152 (2)	0.9199 (3)	0.96275 (17)	0.0403 (7)
C7	−0.1544 (3)	0.9423 (3)	1.0416 (2)	0.0593 (10)
H7	−0.1325	0.9013	1.0900	0.071*
C8	−0.2256 (3)	1.0254 (4)	1.0475 (2)	0.0762 (12)
H8	−0.2527	1.0412	1.1000	0.091*
C9	−0.2563 (3)	1.0845 (4)	0.9761 (3)	0.0728 (11)
H9	−0.3044	1.1414	0.9790	0.087*
C10	−0.2157 (3)	1.0593 (3)	0.9002 (3)	0.0611 (9)
H10	−0.2369	1.1003	0.8515	0.073*
C11	−0.2382 (2)	0.9068 (4)	0.66121 (19)	0.0512 (9)
C12	0.0872 (2)	1.0346 (3)	0.71384 (18)	0.0399 (7)
C13	0.1804 (2)	1.0957 (3)	0.6894 (2)	0.0527 (8)
H13A	0.1622	1.1721	0.6684	0.063*
H13B	0.2218	1.1062	0.7411	0.063*
C14	0.2415 (2)	1.0395 (3)	0.62373 (19)	0.0390 (7)
C15	0.2532 (2)	1.0938 (3)	0.5439 (2)	0.0483 (8)
H15	0.2175	1.1608	0.5313	0.058*
C16	0.3151 (2)	1.0519 (3)	0.48389 (18)	0.0496 (9)
C17	0.3342 (3)	1.1070 (4)	0.3955 (2)	0.0409 (10)	0.770 (6)
H17	0.3875	1.0645	0.3690	0.049*	0.770 (6)
C18	0.3637 (5)	1.2319 (5)	0.4048 (4)	0.0575 (15)	0.770 (6)
H18A	0.3749	1.2635	0.3492	0.086*	0.770 (6)
H18B	0.3118	1.2742	0.4306	0.086*	0.770 (6)
H18C	0.4231	1.2377	0.4404	0.086*	0.770 (6)
C17A	0.2979 (9)	1.1532 (9)	0.4175 (6)	0.0409 (10)	0.230 (6)
H17A	0.2655	1.2209	0.4413	0.049*	0.230 (6)
C18A	0.3971 (12)	1.176 (3)	0.3811 (13)	0.079 (8)	0.230 (6)
H18D	0.3915	1.2402	0.3425	0.119*	0.230 (6)
H18E	0.4437	1.1937	0.4273	0.119*	0.230 (6)
H18F	0.4193	1.1091	0.3508	0.119*	0.230 (6)
C19	0.3657 (2)	0.9531 (3)	0.50239 (19)	0.0538 (9)
H19	0.4095	0.9246	0.4633	0.065*
C20	0.3535 (2)	0.8944 (3)	0.57788 (19)	0.0470 (7)
H20	0.3869	0.8252	0.5882	0.056*
C21	0.2919 (2)	0.9377 (3)	0.63872 (17)	0.0351 (6)
C22	0.3985 (2)	0.8454 (3)	0.77750 (18)	0.0465 (8)
C23	0.4312 (3)	0.7405 (3)	0.8089 (2)	0.0577 (9)
H23	0.3905	0.6758	0.8044	0.069*
C24	0.5250 (3)	0.7317 (5)	0.8472 (3)	0.0826 (14)
H24	0.5469	0.6608	0.8687	0.099*
C25	0.5852 (3)	0.8251 (5)	0.8536 (3)	0.0920 (16)
H25	0.6480	0.8182	0.8797	0.110*
C26	0.5534 (4)	0.9301 (4)	0.8216 (3)	0.0930 (17)
H26	0.5951	0.9939	0.8249	0.112*
C27	0.4590 (3)	0.9406 (4)	0.7844 (3)	0.0704 (12)
H27	0.4367	1.0120	0.7642	0.084*

	U11	U22	U33	U12	U13	U23
Cd1	0.04260 (13)	0.07524 (19)	0.02515 (11)	−0.00810 (12)	−0.00395 (8)	0.00632 (10)
S1	0.0472 (4)	0.0652 (6)	0.0417 (4)	−0.0015 (4)	−0.0019 (3)	0.0187 (4)
N1	0.0453 (14)	0.0434 (15)	0.0302 (11)	−0.0060 (12)	−0.0031 (10)	−0.0014 (11)
N2	0.0453 (14)	0.0576 (17)	0.0327 (12)	−0.0001 (13)	−0.0010 (10)	0.0031 (12)
O1	0.0723 (17)	0.0725 (19)	0.0504 (13)	−0.0072 (15)	−0.0146 (12)	−0.0019 (13)
O2	0.0636 (16)	0.075 (2)	0.0510 (14)	−0.0048 (14)	−0.0140 (11)	0.0087 (14)
O3	0.0473 (12)	0.0600 (16)	0.0452 (12)	−0.0121 (11)	0.0076 (9)	−0.0100 (11)
O4	0.0461 (12)	0.0600 (16)	0.0519 (13)	0.0043 (11)	0.0093 (10)	−0.0064 (11)
C1	0.056 (2)	0.050 (2)	0.0483 (18)	−0.0058 (16)	0.0004 (15)	−0.0073 (15)
C2	0.062 (2)	0.057 (2)	0.075 (2)	0.0122 (19)	−0.0037 (19)	0.002 (2)
C3	0.078 (3)	0.076 (3)	0.064 (2)	0.009 (2)	−0.010 (2)	0.024 (2)
C4	0.067 (2)	0.079 (3)	0.0349 (16)	−0.001 (2)	−0.0035 (15)	0.0194 (17)
C5	0.0426 (16)	0.0471 (19)	0.0288 (13)	−0.0122 (14)	−0.0056 (11)	0.0016 (12)
C6	0.0414 (15)	0.052 (2)	0.0269 (13)	−0.0128 (14)	−0.0025 (11)	−0.0012 (12)
C7	0.073 (2)	0.073 (3)	0.0320 (15)	0.001 (2)	0.0021 (15)	−0.0047 (16)
C8	0.090 (3)	0.091 (3)	0.048 (2)	0.007 (3)	0.014 (2)	−0.025 (2)
C9	0.077 (3)	0.063 (3)	0.078 (3)	0.012 (2)	0.008 (2)	−0.015 (2)
C10	0.059 (2)	0.062 (3)	0.061 (2)	0.0068 (19)	0.0008 (17)	0.0065 (18)
C11	0.0492 (19)	0.074 (3)	0.0293 (14)	−0.0195 (18)	−0.0064 (13)	0.0211 (16)
C12	0.0363 (15)	0.0480 (19)	0.0350 (14)	0.0045 (13)	−0.0029 (12)	0.0031 (13)
C13	0.0452 (18)	0.046 (2)	0.067 (2)	0.0012 (15)	0.0081 (15)	−0.0095 (16)
C14	0.0284 (13)	0.0426 (18)	0.0454 (16)	−0.0034 (12)	−0.0034 (11)	−0.0021 (13)
C15	0.0338 (15)	0.049 (2)	0.061 (2)	−0.0029 (14)	−0.0176 (14)	0.0174 (16)
C16	0.0398 (16)	0.076 (3)	0.0318 (14)	−0.0213 (17)	−0.0106 (12)	0.0094 (15)
C17	0.031 (2)	0.062 (3)	0.0298 (18)	−0.0041 (19)	0.0038 (14)	0.0031 (18)
C18	0.063 (4)	0.063 (4)	0.046 (3)	−0.020 (3)	−0.003 (2)	0.005 (3)
C17A	0.031 (2)	0.062 (3)	0.0298 (18)	−0.0041 (19)	0.0038 (14)	0.0031 (18)
C18A	0.062 (13)	0.13 (2)	0.050 (12)	−0.021 (14)	−0.007 (9)	0.024 (13)
C19	0.0526 (19)	0.078 (3)	0.0308 (15)	−0.0067 (18)	0.0055 (13)	−0.0073 (16)
C20	0.0495 (18)	0.050 (2)	0.0414 (16)	0.0077 (15)	0.0030 (13)	−0.0021 (15)
C21	0.0359 (14)	0.0401 (17)	0.0290 (13)	0.0008 (13)	−0.0033 (10)	0.0023 (12)
C22	0.0513 (18)	0.057 (2)	0.0312 (14)	0.0008 (16)	−0.0028 (12)	0.0070 (14)
C23	0.062 (2)	0.056 (2)	0.054 (2)	0.0041 (18)	−0.0080 (16)	0.0128 (17)
C24	0.071 (3)	0.102 (4)	0.074 (3)	0.016 (3)	−0.010 (2)	0.037 (3)
C25	0.065 (3)	0.130 (5)	0.078 (3)	−0.007 (3)	−0.027 (2)	0.035 (3)
C26	0.085 (3)	0.105 (4)	0.086 (3)	−0.039 (3)	−0.037 (3)	0.033 (3)
C27	0.076 (3)	0.066 (3)	0.067 (2)	−0.010 (2)	−0.022 (2)	0.023 (2)

Cd1—O1	2.275 (2)	C13—H13A	0.9700
Cd1—O4	2.309 (2)	C13—H13B	0.9700
Cd1—N1	2.310 (2)	C14—C21	1.377 (4)
Cd1—N2	2.320 (3)	C14—C15	1.411 (4)
Cd1—O3	2.343 (2)	C15—C16	1.373 (5)
Cd1—O2	2.415 (2)	C15—H15	0.9300
S1—C22	1.776 (3)	C16—C19	1.359 (5)
S1—C21	1.777 (3)	C16—C17	1.551 (5)
N1—C1	1.328 (4)	C16—C17A	1.574 (9)
N1—C5	1.340 (4)	C17—C18	1.505 (6)
N2—C10	1.329 (4)	C17—C11i	1.550 (4)
N2—C6	1.342 (4)	C17—H17	0.9800
O1—C11	1.260 (4)	C18—H18A	0.9600
O2—C11	1.228 (4)	C18—H18B	0.9600
O3—C12	1.242 (4)	C18—H18C	0.9601
O4—C12	1.260 (4)	C17A—C18A	1.506 (10)
C1—C2	1.364 (5)	C17A—C11i	1.599 (9)
C1—H1	0.9300	C17A—H17A	0.9800
C2—C3	1.365 (5)	C18A—H18D	0.9600
C2—H2	0.9300	C18A—H18E	0.9600
C3—C4	1.375 (6)	C18A—H18F	0.9600
C3—H3	0.9300	C19—C20	1.375 (5)
C4—C5	1.384 (4)	C19—H19	0.9300
C4—H4	0.9300	C20—C21	1.386 (4)
C5—C6	1.475 (4)	C20—H20	0.9300
C6—C7	1.385 (4)	C22—C23	1.375 (5)
C7—C8	1.369 (6)	C22—C27	1.376 (5)
C7—H7	0.9300	C23—C24	1.385 (5)
C8—C9	1.356 (6)	C23—H23	0.9300
C8—H8	0.9300	C24—C25	1.357 (7)
C9—C10	1.359 (6)	C24—H24	0.9300
C9—H9	0.9300	C25—C26	1.377 (6)
C10—H10	0.9300	C25—H25	0.9300
C11—C17i	1.550 (4)	C26—C27	1.387 (6)
C11—C17Ai	1.599 (9)	C26—H26	0.9300
C12—C13	1.513 (4)	C27—H27	0.9300
C13—C14	1.494 (4)
O1—Cd1—O4	142.02 (9)	C12—C13—H13A	107.9
O1—Cd1—N1	112.41 (9)	C14—C13—H13B	107.9
O4—Cd1—N1	98.58 (8)	C12—C13—H13B	107.9
O1—Cd1—N2	114.29 (10)	H13A—C13—H13B	107.2
O4—Cd1—N2	95.81 (9)	C21—C14—C15	117.2 (3)
N1—Cd1—N2	71.01 (9)	C21—C14—C13	122.9 (3)
O1—Cd1—O3	98.61 (9)	C15—C14—C13	119.9 (3)
O4—Cd1—O3	56.01 (8)	C16—C15—C14	122.7 (3)
N1—Cd1—O3	94.65 (9)	C16—C15—H15	118.7
N2—Cd1—O3	146.99 (8)	C14—C15—H15	118.7
O1—Cd1—O2	55.34 (10)	C19—C16—C15	118.2 (3)
O4—Cd1—O2	107.72 (9)	C19—C16—C17	115.6 (3)
N1—Cd1—O2	146.53 (9)	C15—C16—C17	126.3 (3)
N2—Cd1—O2	85.80 (9)	C19—C16—C17A	145.6 (6)
O3—Cd1—O2	117.05 (8)	C15—C16—C17A	96.2 (6)
C22—S1—C21	102.15 (14)	C18—C17—C11i	111.5 (4)
C1—N1—C5	119.5 (3)	C18—C17—C16	111.3 (4)
C1—N1—Cd1	122.7 (2)	C11i—C17—C16	107.2 (3)
C5—N1—Cd1	117.8 (2)	C18—C17—H17	109.0
C10—N2—C6	118.9 (3)	C11i—C17—H17	108.9
C10—N2—Cd1	123.7 (2)	C16—C17—H17	108.9
C6—N2—Cd1	117.3 (2)	C17—C18—H18A	109.3
C11—O1—Cd1	93.9 (2)	C17—C18—H18B	109.5
C11—O2—Cd1	88.2 (2)	H18A—C18—H18B	109.5
C12—O3—Cd1	90.61 (18)	C17—C18—H18C	109.6
C12—O4—Cd1	91.7 (2)	H18A—C18—H18C	109.5
N1—C1—C2	122.4 (3)	H18B—C18—H18C	109.5
N1—C1—H1	118.8	C18A—C17A—C16	105.6 (13)
C2—C1—H1	118.8	C18A—C17A—C11i	102.5 (12)
C1—C2—C3	118.7 (4)	C16—C17A—C11i	103.7 (6)
C1—C2—H2	120.6	C18A—C17A—H17A	115.3
C3—C2—H2	120.6	C16—C17A—H17A	113.8
C2—C3—C4	119.6 (3)	C11i—C17A—H17A	114.6
C2—C3—H3	120.2	C17A—C18A—H18E	108.9
C4—C3—H3	120.2	H18D—C18A—H18E	109.5
C3—C4—C5	119.0 (3)	C17A—C18A—H18F	110.6
C3—C4—H4	120.5	H18D—C18A—H18F	109.5
C5—C4—H4	120.5	H18E—C18A—H18F	109.5
N1—C5—C4	120.7 (3)	C16—C19—C20	121.2 (3)
N1—C5—C6	116.9 (2)	C16—C19—H19	119.4
C4—C5—C6	122.5 (3)	C20—C19—H19	119.4
N2—C6—C7	120.5 (3)	C19—C20—C21	120.5 (3)
N2—C6—C5	116.9 (3)	C19—C20—H20	119.8
C7—C6—C5	122.6 (3)	C21—C20—H20	119.8
C8—C7—C6	119.4 (3)	C14—C21—C20	120.2 (3)
C8—C7—H7	120.3	C14—C21—S1	121.0 (2)
C6—C7—H7	120.3	C20—C21—S1	118.7 (2)
C9—C8—C7	119.4 (4)	C23—C22—C27	119.8 (3)
C9—C8—H8	120.3	C23—C22—S1	118.9 (3)
C7—C8—H8	120.3	C27—C22—S1	121.2 (3)
C8—C9—C10	119.0 (4)	C22—C23—C24	119.6 (4)
C8—C9—H9	120.5	C22—C23—H23	120.2
C10—C9—H9	120.5	C24—C23—H23	120.2
N2—C10—C9	122.8 (4)	C25—C24—C23	120.9 (4)
N2—C10—H10	118.6	C25—C24—H24	119.6
C9—C10—H10	118.6	C23—C24—H24	119.6
O2—C11—O1	122.5 (3)	C24—C25—C26	119.9 (4)
O2—C11—C17i	114.4 (4)	C24—C25—H25	120.1
O1—C11—C17i	123.1 (4)	C26—C25—H25	120.1
O2—C11—C17Ai	140.1 (5)	C25—C26—C27	119.9 (4)
O1—C11—C17Ai	95.9 (5)	C25—C26—H26	120.1
O3—C12—O4	121.6 (3)	C27—C26—H26	120.1
O3—C12—C13	121.0 (3)	C22—C27—C26	120.0 (4)
O4—C12—C13	117.4 (3)	C22—C27—H27	120.0
C14—C13—C12	117.7 (3)	C26—C27—H27	120.0
C14—C13—H13A	107.9
O1—Cd1—N1—C1	72.7 (3)	C5—C6—C7—C8	178.9 (3)
O4—Cd1—N1—C1	−84.9 (2)	C6—C7—C8—C9	−0.2 (6)
N2—Cd1—N1—C1	−178.1 (3)	C7—C8—C9—C10	0.2 (7)
O3—Cd1—N1—C1	−28.6 (2)	C6—N2—C10—C9	−0.8 (6)
O2—Cd1—N1—C1	133.3 (2)	Cd1—N2—C10—C9	179.7 (3)
O1—Cd1—N1—C5	−107.1 (2)	C8—C9—C10—N2	0.2 (7)
O4—Cd1—N1—C5	95.3 (2)	Cd1—O2—C11—O1	−0.5 (3)
N2—Cd1—N1—C5	2.0 (2)	Cd1—O2—C11—C17i	178.0 (2)
O3—Cd1—N1—C5	151.6 (2)	Cd1—O2—C11—C17Ai	−162.3 (8)
O2—Cd1—N1—C5	−46.6 (3)	Cd1—O1—C11—O2	0.5 (3)
O1—Cd1—N2—C10	−75.4 (3)	Cd1—O1—C11—C17i	−177.9 (3)
O4—Cd1—N2—C10	80.8 (3)	Cd1—O1—C11—C17Ai	168.9 (4)
N1—Cd1—N2—C10	177.9 (3)	Cd1—O3—C12—O4	−0.9 (3)
O3—Cd1—N2—C10	109.8 (3)	Cd1—O3—C12—C13	178.7 (3)
O2—Cd1—N2—C10	−26.6 (3)	Cd1—O4—C12—O3	0.9 (3)
O1—Cd1—N2—C6	105.1 (2)	Cd1—O4—C12—C13	−178.7 (2)
O4—Cd1—N2—C6	−98.7 (2)	O3—C12—C13—C14	2.5 (5)
N1—Cd1—N2—C6	−1.6 (2)	O4—C12—C13—C14	−177.9 (3)
O3—Cd1—N2—C6	−69.7 (3)	C12—C13—C14—C21	−67.9 (4)
O2—Cd1—N2—C6	153.9 (2)	C12—C13—C14—C15	115.3 (3)
O4—Cd1—O1—C11	−73.7 (2)	C21—C14—C15—C16	−2.9 (4)
N1—Cd1—O1—C11	144.02 (19)	C13—C14—C15—C16	174.2 (3)
N2—Cd1—O1—C11	65.6 (2)	C14—C15—C16—C19	0.9 (5)
O3—Cd1—O1—C11	−117.3 (2)	C14—C15—C16—C17	−178.6 (3)
O2—Cd1—O1—C11	−0.26 (18)	C14—C15—C16—C17A	−176.7 (4)
O1—Cd1—O2—C11	0.27 (18)	C19—C16—C17—C18	−126.6 (4)
O4—Cd1—O2—C11	141.99 (19)	C15—C16—C17—C18	53.0 (5)
N1—Cd1—O2—C11	−77.9 (2)	C17A—C16—C17—C18	49.1 (8)
N2—Cd1—O2—C11	−123.2 (2)	C19—C16—C17—C11i	111.2 (4)
O3—Cd1—O2—C11	81.7 (2)	C15—C16—C17—C11i	−69.2 (5)
O1—Cd1—O3—C12	149.75 (18)	C17A—C16—C17—C11i	−73.1 (7)
O4—Cd1—O3—C12	0.51 (16)	C19—C16—C17A—C18A	−34.7 (15)
N1—Cd1—O3—C12	−96.72 (18)	C15—C16—C17A—C18A	141.6 (12)
N2—Cd1—O3—C12	−35.0 (3)	C17—C16—C17A—C18A	−41.6 (13)
O2—Cd1—O3—C12	94.40 (18)	C19—C16—C17A—C11i	72.7 (10)
O1—Cd1—O4—C12	−55.7 (2)	C15—C16—C17A—C11i	−111.0 (6)
N1—Cd1—O4—C12	89.33 (18)	C17—C16—C17A—C11i	65.8 (6)
N2—Cd1—O4—C12	160.94 (18)	C15—C16—C19—C20	1.9 (5)
O3—Cd1—O4—C12	−0.50 (16)	C17—C16—C19—C20	−178.5 (3)
O2—Cd1—O4—C12	−111.62 (18)	C17A—C16—C19—C20	177.7 (7)
C5—N1—C1—C2	1.6 (5)	C16—C19—C20—C21	−2.7 (5)
Cd1—N1—C1—C2	−178.2 (3)	C15—C14—C21—C20	2.0 (4)
N1—C1—C2—C3	0.1 (6)	C13—C14—C21—C20	−174.9 (3)
C1—C2—C3—C4	−1.1 (6)	C15—C14—C21—S1	−175.4 (2)
C2—C3—C4—C5	0.4 (6)	C13—C14—C21—S1	7.6 (4)
C1—N1—C5—C4	−2.4 (4)	C19—C20—C21—C14	0.6 (5)
Cd1—N1—C5—C4	177.5 (2)	C19—C20—C21—S1	178.1 (2)
C1—N1—C5—C6	177.9 (3)	C22—S1—C21—C14	−124.0 (2)
Cd1—N1—C5—C6	−2.3 (3)	C22—S1—C21—C20	58.5 (3)
C3—C4—C5—N1	1.4 (5)	C21—S1—C22—C23	−135.7 (3)
C3—C4—C5—C6	−178.9 (3)	C21—S1—C22—C27	47.8 (3)
C10—N2—C6—C7	0.8 (5)	C27—C22—C23—C24	−0.1 (6)
Cd1—N2—C6—C7	−179.6 (2)	S1—C22—C23—C24	−176.7 (3)
C10—N2—C6—C5	−178.5 (3)	C22—C23—C24—C25	−0.4 (7)
Cd1—N2—C6—C5	1.0 (3)	C23—C24—C25—C26	−0.2 (8)
N1—C5—C6—N2	0.8 (4)	C24—C25—C26—C27	1.3 (8)
C4—C5—C6—N2	−179.0 (3)	C23—C22—C27—C26	1.2 (6)
N1—C5—C6—C7	−178.5 (3)	S1—C22—C27—C26	177.7 (4)
C4—C5—C6—C7	1.7 (5)	C25—C26—C27—C22	−1.8 (8)
N2—C6—C7—C8	−0.4 (5)