Bis[2-(4-hy-droxy-phen-yl)acetato-κO]bis-(1,10-phenanthroline-κN,N')cadmium penta-hydrate.

In the title compound, [Cd(C(8)H(7)O(3))(2)(C(12)H(8)N(2))(2)]·5H(2)O, the Cd(II) ion is six-coordinated by two carboxylate O atoms of monodentate 2-(4-hy-droxy-phen-yl)acetate ligands and by four N atoms from two chelating 1,10-phenantroline ligands in a distorted trigonal-prismatic geometry. O-H⋯O hydrogen bonds between water mol-ecules and the complex mol-ecules result in the formation of a three-dimensional network. Four water mol-ecules act as single acceptors and double donors while the fifth water mol-ecule is involved as a single acceptor and single donor in an O-H⋯O inter-action and as a donor in an O-H⋯π inter-action.

Related literature

For metal complexes derived from carb­oxy­lic acids, see: Fang & Zhang (2006 ▶); Pan et al. (2006 ▶); Wang & Sevov (2008 ▶); Wang et al. (2010 ▶); Liu et al. (2010 ▶).

Experimental

Crystal data

[Cd(C8H7O3)2(C12H8N2)2]·5H2O

M = 865.17

Triclinic,

a = 11.020 (1) Å

b = 11.341 (1) Å

c = 16.554 (2) Å

α = 86.170 (1)°

β = 77.537 (1)°

γ = 70.836 (1)°

V = 1908.2 (3) Å3

Z = 2

Mo Kα radiation

μ = 0.64 mm−1

T = 296 K

0.31 × 0.29 × 0.11 mm

Data collection

Bruker APEXII area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.823, T max = 0.930

28812 measured reflections

8705 independent reflections

7876 reflections with I > 2σ(I)

R int = 0.020

Refinement

R[F 2 > 2σ(F 2)] = 0.026

wR(F 2) = 0.067

S = 1.04

8705 reflections

505 parameters

7 restraints

H-atom parameters constrained

Δρmax = 0.60 e Å−3

Δρmin = −0.30 e Å−3

Data collection: APEX2 (Bruker, 2006 ▶); cell refinement: SAINT (Bruker, 2006 ▶); 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 datablocks I, global. DOI: 10.1107/S1600536811001747/gk2315sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536811001747/gk2315Isup2.hkl

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

[Cd(C8H7O3)2(C12H8N2)2]·5H2O	Z = 2
Mr = 865.17	F(000) = 888
Triclinic, P1	Dx = 1.506 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 11.020 (1) Å	Cell parameters from 9977 reflections
b = 11.341 (1) Å	θ = 1.3–27.7°
c = 16.554 (2) Å	µ = 0.64 mm−1
α = 86.170 (1)°	T = 296 K
β = 77.537 (1)°	Block, colourless
γ = 70.836 (1)°	0.31 × 0.29 × 0.11 mm
V = 1908.2 (3) Å3

Bruker APEXII area-detector diffractometer	8705 independent reflections
Radiation source: fine-focus sealed tube	7876 reflections with I > 2σ(I)
graphite	Rint = 0.020
φ and ω scans	θmax = 27.7°, θmin = 1.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −14→14
Tmin = 0.823, Tmax = 0.930	k = −14→14
28812 measured reflections	l = −21→21

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)] = 0.026	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.067	H-atom parameters constrained
S = 1.04	w = 1/[σ2(Fo2) + (0.0315P)2 + 0.6164P] where P = (Fo2 + 2Fc2)/3
8705 reflections	(Δ/σ)max = 0.002
505 parameters	Δρmax = 0.60 e Å−3
7 restraints	Δρmin = −0.30 e Å−3

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.

	x	y	z	Uiso*/Ueq
Cd	0.921272 (12)	0.297983 (12)	0.262351 (7)	0.03811 (5)
N1	1.09784 (15)	0.16075 (14)	0.32637 (9)	0.0420 (3)
N2	0.85159 (15)	0.29728 (14)	0.40757 (9)	0.0429 (3)
N3	0.85430 (16)	0.32506 (15)	0.12900 (9)	0.0434 (3)
N4	1.09251 (15)	0.32116 (15)	0.15377 (9)	0.0437 (3)
O1	0.98347 (13)	0.49440 (13)	0.30979 (9)	0.0518 (3)
O1W	0.09649 (18)	0.88079 (17)	0.19886 (11)	0.0813 (5)
H1WA	0.0371	0.9464	0.2152	0.122*
H1WB	0.1537	0.8990	0.1722	0.122*
O2	0.79307 (13)	0.50615 (12)	0.28232 (8)	0.0479 (3)
O2W	0.15247 (16)	0.63322 (18)	0.24663 (11)	0.0727 (4)
H2WA	0.1051	0.5953	0.2718	0.109*
H2WB	0.1219	0.7036	0.2420	0.109*
O3	0.56429 (16)	0.71568 (16)	0.67907 (9)	0.0653 (4)
H3A	0.4843	0.7357	0.6849	0.098*
O3W	0.41174 (18)	0.5009 (2)	0.22350 (13)	0.0895 (6)
H3WA	0.4111	0.4504	0.2630	0.134*
H3WB	0.3415	0.5578	0.2335	0.134*
O4	0.69434 (15)	0.21911 (14)	0.29253 (9)	0.0568 (4)
O4W	0.52550 (19)	0.82720 (19)	0.14562 (13)	0.0908 (6)
H4WA	0.5898	0.8509	0.1342	0.136*
H4WB	0.5441	0.7687	0.1822	0.136*
O5	0.89776 (14)	0.10086 (13)	0.24775 (9)	0.0507 (3)
O5W	0.5459 (2)	0.6477 (2)	0.26075 (17)	0.1118 (8)
H5WB	0.6203	0.6061	0.2698	0.168*
H5WA	0.5178	0.5820	0.2545	0.168*
O6	0.69850 (16)	0.05348 (17)	−0.09615 (9)	0.0695 (4)
H6A	0.6235	0.0923	−0.1015	0.104*
C1	0.7764 (2)	0.11842 (18)	0.26384 (11)	0.0443 (4)
C2	0.7300 (2)	0.0149 (2)	0.24301 (13)	0.0556 (5)
H2A	0.6451	0.0219	0.2780	0.067*
H2B	0.7914	−0.0653	0.2534	0.067*
C3	0.7190 (2)	0.02282 (18)	0.15278 (12)	0.0471 (4)
C4	0.8299 (2)	−0.02101 (19)	0.09063 (14)	0.0544 (5)
H4A	0.9111	−0.0584	0.1049	0.065*
C5	0.8224 (2)	−0.0104 (2)	0.00855 (14)	0.0560 (5)
H5A	0.8982	−0.0395	−0.0320	0.067*
C6	0.7025 (2)	0.04348 (19)	−0.01398 (12)	0.0495 (4)
C7	0.5906 (2)	0.0863 (2)	0.04668 (13)	0.0524 (5)
H7A	0.5092	0.1215	0.0322	0.063*
C8	0.5997 (2)	0.0769 (2)	0.12918 (13)	0.0530 (5)
H8A	0.5240	0.1076	0.1696	0.064*
C9	0.86740 (18)	0.55353 (17)	0.30747 (10)	0.0404 (4)
C10	0.8083 (2)	0.68753 (17)	0.33848 (12)	0.0457 (4)
H10A	0.8769	0.7257	0.3308	0.055*
H10B	0.7444	0.7344	0.3063	0.055*
C11	0.74249 (18)	0.69351 (16)	0.42914 (11)	0.0413 (4)
C12	0.6094 (2)	0.7498 (2)	0.45409 (13)	0.0591 (5)
H12A	0.5593	0.7836	0.4145	0.071*
C13	0.5483 (2)	0.7572 (2)	0.53676 (13)	0.0637 (6)
H13A	0.4580	0.7957	0.5521	0.076*
C14	0.6205 (2)	0.70798 (19)	0.59631 (12)	0.0490 (4)
C15	0.7538 (2)	0.6497 (2)	0.57256 (12)	0.0509 (5)
H15A	0.8035	0.6150	0.6122	0.061*
C16	0.81361 (19)	0.64290 (19)	0.48983 (12)	0.0485 (4)
H16A	0.9037	0.6034	0.4745	0.058*
C17	1.2147 (2)	0.08956 (19)	0.28732 (13)	0.0528 (5)
H17A	1.2354	0.0929	0.2299	0.063*
C18	1.3081 (2)	0.0099 (2)	0.32820 (16)	0.0655 (6)
H18A	1.3892	−0.0384	0.2986	0.079*
C19	1.2784 (2)	0.0042 (2)	0.41199 (16)	0.0646 (6)
H19A	1.3405	−0.0468	0.4403	0.078*
C20	1.1556 (2)	0.07441 (19)	0.45566 (13)	0.0513 (5)
C21	1.1149 (3)	0.0674 (2)	0.54353 (14)	0.0646 (6)
H21A	1.1735	0.0156	0.5738	0.078*
C22	0.9952 (3)	0.1335 (2)	0.58284 (13)	0.0649 (6)
H22A	0.9717	0.1263	0.6399	0.078*
C23	0.9022 (2)	0.2150 (2)	0.53929 (11)	0.0522 (5)
C24	0.7749 (3)	0.2854 (2)	0.57780 (13)	0.0643 (6)
H24A	0.7481	0.2820	0.6349	0.077*
C25	0.6904 (2)	0.3586 (2)	0.53231 (14)	0.0646 (6)
H25A	0.6058	0.4057	0.5577	0.078*
C26	0.7324 (2)	0.3620 (2)	0.44643 (13)	0.0551 (5)
H26A	0.6739	0.4119	0.4154	0.066*
C27	0.93710 (19)	0.22480 (17)	0.45242 (10)	0.0414 (4)
C28	1.06665 (19)	0.15289 (16)	0.40979 (11)	0.0406 (4)
C29	1.2023 (2)	0.3332 (2)	0.16604 (13)	0.0524 (5)
H29A	1.2139	0.3319	0.2201	0.063*
C30	1.3013 (2)	0.3478 (2)	0.10237 (14)	0.0591 (5)
H30A	1.3773	0.3558	0.1137	0.071*
C31	1.2851 (2)	0.3500 (2)	0.02283 (14)	0.0583 (5)
H31A	1.3513	0.3574	−0.0207	0.070*
C32	1.1692 (2)	0.34120 (18)	0.00681 (11)	0.0480 (4)
C33	1.1421 (2)	0.3504 (2)	−0.07470 (12)	0.0585 (6)
H33A	1.2055	0.3587	−0.1199	0.070*
C34	1.0270 (2)	0.3472 (2)	−0.08689 (12)	0.0576 (5)
H34A	1.0125	0.3522	−0.1405	0.069*
C35	0.9262 (2)	0.33649 (17)	−0.01936 (11)	0.0473 (4)
C36	0.8020 (2)	0.3417 (2)	−0.02921 (13)	0.0574 (5)
H36A	0.7843	0.3453	−0.0819	0.069*
C37	0.7069 (2)	0.3415 (2)	0.03854 (14)	0.0589 (5)
H37A	0.6232	0.3465	0.0328	0.071*
C38	0.7372 (2)	0.3336 (2)	0.11663 (13)	0.0534 (5)
H38A	0.6713	0.3343	0.1626	0.064*
C39	0.94879 (19)	0.32743 (16)	0.06202 (10)	0.0410 (4)
C40	1.07354 (18)	0.32791 (16)	0.07513 (10)	0.0412 (4)

	U11	U22	U33	U12	U13	U23
Cd	0.04353 (8)	0.03857 (8)	0.02888 (7)	−0.00945 (6)	−0.00605 (5)	−0.00080 (5)
N1	0.0494 (8)	0.0401 (8)	0.0362 (7)	−0.0122 (6)	−0.0113 (6)	−0.0016 (6)
N2	0.0510 (9)	0.0438 (8)	0.0333 (6)	−0.0173 (7)	−0.0040 (6)	−0.0008 (6)
N3	0.0524 (9)	0.0436 (9)	0.0339 (7)	−0.0165 (7)	−0.0077 (6)	0.0043 (6)
N4	0.0493 (8)	0.0443 (9)	0.0345 (7)	−0.0131 (7)	−0.0044 (6)	−0.0035 (6)
O1	0.0432 (7)	0.0480 (8)	0.0589 (8)	−0.0097 (6)	−0.0054 (6)	−0.0065 (6)
O1W	0.0756 (12)	0.0716 (12)	0.0743 (11)	0.0018 (9)	−0.0069 (9)	−0.0048 (9)
O2	0.0553 (8)	0.0398 (6)	0.0501 (7)	−0.0133 (6)	−0.0174 (6)	−0.0004 (5)
O2W	0.0627 (10)	0.0828 (12)	0.0755 (11)	−0.0294 (9)	−0.0132 (8)	0.0067 (9)
O3	0.0609 (9)	0.0822 (11)	0.0429 (8)	−0.0134 (8)	−0.0043 (7)	−0.0031 (7)
O3W	0.0661 (11)	0.0913 (14)	0.1104 (15)	−0.0253 (10)	−0.0219 (10)	0.0169 (12)
O4	0.0601 (9)	0.0574 (9)	0.0463 (7)	−0.0142 (7)	−0.0026 (6)	−0.0064 (6)
O4W	0.0813 (13)	0.0856 (14)	0.1083 (16)	−0.0318 (11)	−0.0225 (11)	0.0170 (11)
O5	0.0506 (8)	0.0453 (7)	0.0575 (8)	−0.0149 (6)	−0.0145 (6)	0.0001 (6)
O5W	0.0835 (14)	0.0992 (16)	0.166 (2)	−0.0272 (12)	−0.0632 (15)	0.0193 (15)
O6	0.0626 (10)	0.0939 (13)	0.0498 (8)	−0.0186 (9)	−0.0159 (7)	−0.0048 (8)
C1	0.0549 (11)	0.0462 (11)	0.0346 (8)	−0.0199 (9)	−0.0114 (8)	0.0077 (7)
C2	0.0693 (14)	0.0537 (12)	0.0538 (11)	−0.0328 (11)	−0.0165 (10)	0.0113 (9)
C3	0.0566 (11)	0.0387 (10)	0.0523 (11)	−0.0222 (9)	−0.0142 (9)	0.0016 (8)
C4	0.0509 (11)	0.0451 (11)	0.0645 (13)	−0.0069 (9)	−0.0192 (10)	−0.0028 (9)
C5	0.0486 (11)	0.0544 (12)	0.0572 (12)	−0.0065 (9)	−0.0068 (9)	−0.0109 (9)
C6	0.0512 (11)	0.0476 (11)	0.0505 (11)	−0.0152 (9)	−0.0120 (9)	−0.0050 (8)
C7	0.0447 (10)	0.0552 (12)	0.0577 (12)	−0.0141 (9)	−0.0133 (9)	−0.0028 (9)
C8	0.0486 (11)	0.0561 (12)	0.0542 (11)	−0.0194 (9)	−0.0049 (9)	−0.0042 (9)
C9	0.0485 (10)	0.0375 (9)	0.0323 (8)	−0.0136 (8)	−0.0035 (7)	0.0026 (7)
C10	0.0509 (11)	0.0354 (9)	0.0475 (10)	−0.0136 (8)	−0.0038 (8)	0.0008 (7)
C11	0.0437 (9)	0.0335 (9)	0.0457 (9)	−0.0128 (7)	−0.0046 (7)	−0.0054 (7)
C12	0.0474 (11)	0.0693 (14)	0.0483 (11)	−0.0016 (10)	−0.0118 (9)	0.0016 (10)
C13	0.0414 (11)	0.0802 (16)	0.0521 (12)	0.0001 (10)	−0.0032 (9)	−0.0027 (11)
C14	0.0495 (11)	0.0499 (11)	0.0446 (10)	−0.0134 (9)	−0.0060 (8)	−0.0060 (8)
C15	0.0491 (11)	0.0541 (12)	0.0504 (11)	−0.0133 (9)	−0.0166 (9)	−0.0021 (9)
C16	0.0384 (9)	0.0481 (11)	0.0563 (11)	−0.0094 (8)	−0.0091 (8)	−0.0075 (9)
C17	0.0549 (12)	0.0485 (11)	0.0499 (11)	−0.0088 (9)	−0.0107 (9)	−0.0052 (9)
C18	0.0547 (13)	0.0549 (14)	0.0797 (16)	−0.0058 (10)	−0.0165 (11)	−0.0023 (11)
C19	0.0658 (14)	0.0528 (13)	0.0791 (16)	−0.0124 (11)	−0.0369 (12)	0.0115 (11)
C20	0.0696 (13)	0.0458 (11)	0.0511 (11)	−0.0262 (10)	−0.0290 (10)	0.0087 (8)
C21	0.0953 (19)	0.0643 (14)	0.0533 (12)	−0.0381 (14)	−0.0414 (13)	0.0193 (11)
C22	0.105 (2)	0.0755 (16)	0.0346 (10)	−0.0518 (15)	−0.0259 (11)	0.0135 (10)
C23	0.0796 (14)	0.0577 (12)	0.0328 (9)	−0.0408 (11)	−0.0105 (9)	0.0011 (8)
C24	0.0872 (17)	0.0794 (16)	0.0338 (9)	−0.0463 (14)	0.0050 (10)	−0.0082 (10)
C25	0.0656 (14)	0.0715 (15)	0.0514 (12)	−0.0265 (12)	0.0107 (10)	−0.0152 (11)
C26	0.0553 (12)	0.0559 (12)	0.0477 (11)	−0.0157 (10)	0.0001 (9)	−0.0029 (9)
C27	0.0593 (11)	0.0411 (10)	0.0320 (8)	−0.0268 (9)	−0.0102 (7)	0.0008 (7)
C28	0.0556 (11)	0.0366 (9)	0.0386 (9)	−0.0221 (8)	−0.0176 (8)	0.0023 (7)
C29	0.0537 (12)	0.0532 (12)	0.0479 (10)	−0.0136 (9)	−0.0094 (9)	−0.0066 (9)
C30	0.0481 (11)	0.0593 (13)	0.0664 (14)	−0.0163 (10)	−0.0032 (10)	−0.0105 (10)
C31	0.0539 (12)	0.0534 (13)	0.0562 (12)	−0.0139 (10)	0.0088 (9)	−0.0054 (9)
C32	0.0533 (11)	0.0388 (10)	0.0421 (9)	−0.0092 (8)	0.0028 (8)	−0.0027 (7)
C33	0.0724 (15)	0.0553 (13)	0.0341 (9)	−0.0137 (11)	0.0068 (9)	0.0014 (8)
C34	0.0755 (15)	0.0580 (13)	0.0307 (9)	−0.0134 (11)	−0.0062 (9)	0.0018 (8)
C35	0.0659 (12)	0.0369 (10)	0.0351 (9)	−0.0111 (9)	−0.0106 (8)	0.0005 (7)
C36	0.0780 (15)	0.0534 (12)	0.0458 (11)	−0.0212 (11)	−0.0245 (10)	0.0051 (9)
C37	0.0640 (13)	0.0610 (14)	0.0603 (13)	−0.0263 (11)	−0.0245 (11)	0.0117 (10)
C38	0.0568 (12)	0.0558 (12)	0.0493 (11)	−0.0223 (10)	−0.0109 (9)	0.0098 (9)
C39	0.0549 (11)	0.0314 (9)	0.0329 (8)	−0.0105 (8)	−0.0062 (7)	0.0000 (6)
C40	0.0512 (10)	0.0321 (9)	0.0331 (8)	−0.0080 (8)	−0.0015 (7)	−0.0025 (6)

Cd—O2	2.3221 (13)	C10—H10B	0.9700
Cd—N2	2.3609 (14)	C11—C12	1.374 (3)
Cd—O5	2.3672 (14)	C11—C16	1.386 (3)
Cd—N4	2.3790 (15)	C12—C13	1.384 (3)
Cd—N3	2.4447 (15)	C12—H12A	0.9300
Cd—N1	2.4522 (15)	C13—C14	1.375 (3)
Cd—O1	2.7419 (14)	C13—H13A	0.9300
Cd—O4	2.8591 (15)	C14—C15	1.378 (3)
N1—C17	1.325 (2)	C15—C16	1.381 (3)
N1—C28	1.354 (2)	C15—H15A	0.9300
N2—C26	1.320 (3)	C16—H16A	0.9300
N2—C27	1.352 (2)	C17—C18	1.393 (3)
N3—C38	1.322 (3)	C17—H17A	0.9300
N3—C39	1.353 (2)	C18—C19	1.357 (3)
N4—C29	1.320 (3)	C18—H18A	0.9300
N4—C40	1.356 (2)	C19—C20	1.391 (3)
O1—C9	1.242 (2)	C19—H19A	0.9300
O1W—H1WA	0.8283	C20—C28	1.410 (3)
O1W—H1WB	0.7668	C20—C21	1.432 (3)
O2—C9	1.265 (2)	C21—C22	1.331 (4)
O2W—H2WA	0.8134	C21—H21A	0.9300
O2W—H2WB	0.7638	C22—C23	1.426 (3)
O3—C14	1.372 (2)	C22—H22A	0.9300
O3—H3A	0.8200	C23—C24	1.400 (3)
O3W—H3WA	0.8409	C23—C27	1.413 (2)
O3W—H3WB	0.8210	C24—C25	1.354 (4)
O4—C1	1.248 (2)	C24—H24A	0.9300
O4W—H4WA	0.8194	C25—C26	1.399 (3)
O4W—H4WB	0.8719	C25—H25A	0.9300
O5—C1	1.256 (2)	C26—H26A	0.9300
O5W—H5WB	0.8405	C27—C28	1.442 (3)
O5W—H5WA	0.9152	C29—C30	1.388 (3)
O6—C6	1.366 (2)	C29—H29A	0.9300
O6—H6A	0.8200	C30—C31	1.364 (3)
C1—C2	1.511 (3)	C30—H30A	0.9300
C2—C3	1.519 (3)	C31—C32	1.395 (3)
C2—H2A	0.9700	C31—H31A	0.9300
C2—H2B	0.9700	C32—C40	1.407 (2)
C3—C8	1.385 (3)	C32—C33	1.434 (3)
C3—C4	1.388 (3)	C33—C34	1.338 (3)
C4—C5	1.374 (3)	C33—H33A	0.9300
C4—H4A	0.9300	C34—C35	1.426 (3)
C5—C6	1.381 (3)	C34—H34A	0.9300
C5—H5A	0.9300	C35—C36	1.395 (3)
C6—C7	1.380 (3)	C35—C39	1.413 (2)
C7—C8	1.386 (3)	C36—C37	1.361 (3)
C7—H7A	0.9300	C36—H36A	0.9300
C8—H8A	0.9300	C37—C38	1.393 (3)
C9—C10	1.519 (3)	C37—H37A	0.9300
C10—C11	1.515 (2)	C38—H38A	0.9300
C10—H10A	0.9700	C39—C40	1.439 (3)
O2—Cd—N2	80.97 (5)	C16—C11—C10	121.53 (17)
O2—Cd—O5	139.64 (5)	C11—C12—C13	121.49 (19)
N2—Cd—O5	92.60 (5)	C11—C12—H12A	119.3
O2—Cd—N4	99.31 (5)	C13—C12—H12A	119.3
N2—Cd—N4	143.65 (5)	C14—C13—C12	120.21 (19)
O5—Cd—N4	108.46 (5)	C14—C13—H13A	119.9
O2—Cd—N3	83.91 (5)	C12—C13—H13A	119.9
N2—Cd—N3	146.00 (5)	O3—C14—C13	122.12 (18)
O5—Cd—N3	79.64 (5)	O3—C14—C15	118.63 (18)
N4—Cd—N3	68.89 (5)	C13—C14—C15	119.24 (18)
O2—Cd—N1	133.16 (5)	C14—C15—C16	119.94 (18)
N2—Cd—N1	69.41 (5)	C14—C15—H15A	120.0
O5—Cd—N1	78.78 (5)	C16—C15—H15A	120.0
N4—Cd—N1	85.63 (5)	C15—C16—C11	121.53 (18)
N3—Cd—N1	139.01 (5)	C15—C16—H16A	119.2
O2—Cd—O1	50.72 (4)	C11—C16—H16A	119.2
N2—Cd—O1	77.84 (5)	N1—C17—C18	123.1 (2)
O5—Cd—O1	165.14 (5)	N1—C17—H17A	118.4
N4—Cd—O1	74.83 (5)	C18—C17—H17A	118.4
N3—Cd—O1	114.60 (5)	C19—C18—C17	118.8 (2)
N1—Cd—O1	87.15 (5)	C19—C18—H18A	120.6
O2—Cd—O4	91.80 (5)	C17—C18—H18A	120.6
N2—Cd—O4	74.21 (5)	C18—C19—C20	120.3 (2)
O5—Cd—O4	48.54 (4)	C18—C19—H19A	119.9
N4—Cd—O4	141.63 (5)	C20—C19—H19A	119.9
N3—Cd—O4	76.03 (5)	C19—C20—C28	117.51 (19)
N1—Cd—O4	112.79 (5)	C19—C20—C21	123.2 (2)
O1—Cd—O4	136.30 (4)	C28—C20—C21	119.2 (2)
C17—N1—C28	118.24 (16)	C22—C21—C20	121.5 (2)
C17—N1—Cd	126.59 (13)	C22—C21—H21A	119.3
C28—N1—Cd	115.02 (12)	C20—C21—H21A	119.3
C26—N2—C27	118.82 (16)	C21—C22—C23	121.40 (19)
C26—N2—Cd	123.00 (13)	C21—C22—H22A	119.3
C27—N2—Cd	118.16 (12)	C23—C22—H22A	119.3
C38—N3—C39	117.93 (16)	C24—C23—C27	117.1 (2)
C38—N3—Cd	126.23 (13)	C24—C23—C22	123.47 (19)
C39—N3—Cd	115.81 (12)	C27—C23—C22	119.4 (2)
C29—N4—C40	118.20 (16)	C25—C24—C23	120.35 (19)
C29—N4—Cd	123.74 (13)	C25—C24—H24A	119.8
C40—N4—Cd	118.00 (12)	C23—C24—H24A	119.8
C9—O1—Cd	83.41 (11)	C24—C25—C26	118.9 (2)
H1WA—O1W—H1WB	107.2	C24—C25—H25A	120.6
C9—O2—Cd	102.66 (11)	C26—C25—H25A	120.6
H2WA—O2W—H2WB	117.5	N2—C26—C25	122.8 (2)
C14—O3—H3A	109.5	N2—C26—H26A	118.6
H3WA—O3W—H3WB	106.8	C25—C26—H26A	118.6
C1—O4—Cd	82.56 (12)	N2—C27—C23	122.01 (18)
H4WA—O4W—H4WB	104.7	N2—C27—C28	118.77 (15)
C1—O5—Cd	105.88 (12)	C23—C27—C28	119.20 (18)
H5WB—O5W—H5WA	97.6	N1—C28—C20	122.03 (18)
C6—O6—H6A	109.5	N1—C28—C27	118.64 (16)
O4—C1—O5	122.44 (18)	C20—C28—C27	119.31 (17)
O4—C1—C2	119.67 (19)	N4—C29—C30	123.4 (2)
O5—C1—C2	117.82 (18)	N4—C29—H29A	118.3
C1—C2—C3	110.21 (16)	C30—C29—H29A	118.3
C1—C2—H2A	109.6	C31—C30—C29	118.8 (2)
C3—C2—H2A	109.6	C31—C30—H30A	120.6
C1—C2—H2B	109.6	C29—C30—H30A	120.6
C3—C2—H2B	109.6	C30—C31—C32	120.01 (19)
H2A—C2—H2B	108.1	C30—C31—H31A	120.0
C8—C3—C4	117.58 (19)	C32—C31—H31A	120.0
C8—C3—C2	121.69 (19)	C31—C32—C40	117.40 (18)
C4—C3—C2	120.70 (19)	C31—C32—C33	123.10 (19)
C5—C4—C3	121.46 (19)	C40—C32—C33	119.5 (2)
C5—C4—H4A	119.3	C34—C33—C32	121.14 (19)
C3—C4—H4A	119.3	C34—C33—H33A	119.4
C4—C5—C6	120.3 (2)	C32—C33—H33A	119.4
C4—C5—H5A	119.9	C33—C34—C35	121.35 (19)
C6—C5—H5A	119.9	C33—C34—H34A	119.3
O6—C6—C7	121.77 (19)	C35—C34—H34A	119.3
O6—C6—C5	118.83 (19)	C36—C35—C39	117.69 (18)
C7—C6—C5	119.40 (19)	C36—C35—C34	122.86 (18)
C6—C7—C8	119.80 (19)	C39—C35—C34	119.3 (2)
C6—C7—H7A	120.1	C37—C36—C35	119.80 (19)
C8—C7—H7A	120.1	C37—C36—H36A	120.1
C3—C8—C7	121.48 (19)	C35—C36—H36A	120.1
C3—C8—H8A	119.3	C36—C37—C38	118.8 (2)
C7—C8—H8A	119.3	C36—C37—H37A	120.6
O1—C9—O2	122.91 (17)	C38—C37—H37A	120.6
O1—C9—C10	119.66 (17)	N3—C38—C37	123.7 (2)
O2—C9—C10	117.40 (16)	N3—C38—H38A	118.2
C11—C10—C9	111.22 (15)	C37—C38—H38A	118.2
C11—C10—H10A	109.4	N3—C39—C35	122.14 (18)
C9—C10—H10A	109.4	N3—C39—C40	118.36 (15)
C11—C10—H10B	109.4	C35—C39—C40	119.41 (17)
C9—C10—H10B	109.4	N4—C40—C32	122.17 (18)
H10A—C10—H10B	108.0	N4—C40—C39	118.49 (15)
C12—C11—C16	117.57 (18)	C32—C40—C39	119.27 (16)
C12—C11—C10	120.90 (17)

Cg5 is the centroid of the C3–C8 ring.

D—H···A	D—H	H···A	D···A	D—H···A
O3—H3A···O4i	0.82	1.82	2.641 (2)	175
O6—H6A···O4Wii	0.82	1.87	2.670 (3)	164
O1W—H1WA···O5iii	0.83	1.93	2.756 (2)	177
O1W—H1WB···O6ii	0.77	2.03	2.798 (3)	177
O2W—H2WA···O1iv	0.81	2.01	2.812 (2)	168
O2W—H2WB···O1W	0.76	2.04	2.769 (3)	160
O3W—H3WA···O3i	0.84	2.02	2.817 (3)	158
O3W—H3WB···O2W	0.82	1.94	2.712 (3)	155
O4W—H4WB···O5W	0.87	1.82	2.682 (3)	168
O5W—H5WB···O2	0.84	1.92	2.756 (2)	176
O5W—H5WA···O3W	0.92	1.87	2.737 (3)	157
O4W—H4WA···Cg5v	0.82	2.85	3.583 (2)	151

Table 1

Hydrogen-bond geometry (Å, °)

Cg5 is the centroid of the C3–C8 ring.

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H3A⋯O4i	0.82	1.82	2.641 (2)	175
O6—H6A⋯O4Wii	0.82	1.87	2.670 (3)	164
O1W—H1WA⋯O5iii	0.83	1.93	2.756 (2)	177
O1W—H1WB⋯O6ii	0.77	2.03	2.798 (3)	177
O2W—H2WA⋯O1iv	0.81	2.01	2.812 (2)	168
O2W—H2WB⋯O1W	0.76	2.04	2.769 (3)	160
O3W—H3WA⋯O3i	0.84	2.02	2.817 (3)	158
O3W—H3WB⋯O2W	0.82	1.94	2.712 (3)	155
O4W—H4WB⋯O5W	0.87	1.82	2.682 (3)	168
O5W—H5WB⋯O2	0.84	1.92	2.756 (2)	176
O5W—H5WA⋯O3W	0.92	1.87	2.737 (3)	157
O4W—H4WA⋯Cg5v	0.82	2.85	3.583 (2)	151

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) .