An unprecedented binuclear cadmium di­thio­carbamate adduct: bis­[μ₂-N-(2-hydroxy­eth­yl)-N-iso­propyl­carbamodi­thio­ato-κ³S:S,S′]bis­{[N-(2-hydroxy­eth­yl)-N-iso­propyl­carbamodi­thio­ato-κ²S,S′](3-{(1E)-[(E)-2-(pyridin-3-yl­methyl­idene)hydrazin-1-yl­idene]meth­yl}pyridine-κN)cadmium]} dihydrate

A distorted octa­hedral NS₅ donor set is found in the binuclear title mol­ecule which features an unprecedented [Cd(di­thio­carbamate)₂]₂ core. Mol­ecules are connected into a three-dimensional architecture by O—H...O,N hydrogen bonding.

Key indicators

• Single-crystal X-ray study
• T = 98 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.029
• wR factor = 0.065
• Data-to-parameter ratio = 19.9

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT220_ALERT_2_C Non-Solvent Resd 1   C   Ueq(max)/Ueq(min) Range        3.2 Ratio
PLAT717_ALERT_1_C D...A   Unknown or Inconsistent Label ..........    CG(CD,S
PLAT910_ALERT_3_C Missing # of FCF Reflection(s) Below Theta(Min)           6 Note
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         35 Report

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          7 Note
PLAT172_ALERT_4_G The CIF-Embedded .res File Contains DFIX Records          4 Report
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cd     --  S3_a    ..       12.0 s.u.
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............          4 Note
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density           8 Note

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   4 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   6 ALERT level G = General information/check it is not something unexpected

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

---

Computing details

Data collection: CrystalClear (Molecular Structure Corporation & Rigaku, 2005); cell refinement: CrystalClear (Molecular Structure Corporation & Rigaku, 2005); data reduction: CrystalClear (Molecular Structure Corporation & Rigaku, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg, 2006); software used to prepare material for publication: publCIF (Westrip, 2010).

Bis[µ₂-N-(2-hydroxyethyl)-N-isopropylcarbamodithioato-κ³S:S,S']bis{[N-(2-hydroxyethyl)-N-isopropylcarbamodithioato-κ²S,S'](3-{(1E)-[(E)-2-(pyridin-3-ylmethylidene)hydrazin-1-ylidene]methyl}pyridine-κN)cadmium]} dihydrate

Crystal data

[Cd(C6H12NOS2)2(C12H10N4)2]2·2H2O	F(000) = 1432
Mr = 1394.48	Dx = 1.484 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 16.4700 (18) Å	Cell parameters from 19902 reflections
b = 12.2257 (12) Å	θ = 2.7–40.8°
c = 17.0862 (19) Å	µ = 1.00 mm^−1
β = 114.932 (2)°	T = 98 K
V = 3119.8 (6) Å^3	Plate, yellow
Z = 2	0.40 × 0.30 × 0.08 mm

Data collection

AFC12K/SATURN724 diffractometer	7133 independent reflections
Radiation source: fine-focus sealed tube	6807 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.029
ω scans	θmax = 27.5°, θmin = 2.7°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −20→21
Tmin = 0.661, Tmax = 1.000	k = −15→15
22846 measured reflections	l = −22→19

Refinement

Refinement on F^2	4 restraints
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.029	w = 1/[σ^2(Fo^2) + (0.0243P)^2 + 2.9797P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.065	(Δ/σ)max = 0.001
S = 1.08	Δρmax = 0.54 e Å^−3
7133 reflections	Δρmin = −0.39 e Å^−3
359 parameters

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.

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

	x	y	z	Uiso*/Ueq
Cd	0.43075 (2)	0.13535 (2)	0.44655 (2)	0.01368 (5)
S1	0.36321 (3)	0.19066 (4)	0.55658 (3)	0.01568 (10)
S2	0.43474 (3)	0.35177 (4)	0.47165 (3)	0.01378 (9)
S3	0.39975 (3)	−0.08571 (4)	0.43612 (3)	0.01393 (9)
S4	0.45562 (3)	−0.11726 (4)	0.62449 (3)	0.01652 (10)
O1	0.36420 (11)	0.30641 (13)	0.79528 (10)	0.0241 (3)
H1O	0.3348 (17)	0.3606 (15)	0.797 (2)	0.036*
O2	0.24285 (16)	−0.03206 (14)	0.70325 (14)	0.0425 (5)
H2O	0.241 (3)	0.0271 (17)	0.728 (2)	0.064*
O1W	0.23612 (12)	0.15309 (13)	0.77985 (12)	0.0276 (4)
H1W	0.2791 (15)	0.195 (2)	0.787 (2)	0.041*
H2W	0.1898 (13)	0.185 (2)	0.7437 (16)	0.041*
N1	0.28639 (11)	−0.08842 (14)	0.51175 (11)	0.0165 (3)
N2	0.37924 (11)	0.40314 (13)	0.59396 (11)	0.0150 (3)
N3	0.29195 (12)	0.15099 (13)	0.32251 (11)	0.0177 (3)
N4	0.11563 (13)	0.38202 (15)	0.34081 (13)	0.0242 (4)
N5	0.05594 (13)	0.46819 (16)	0.33476 (13)	0.0260 (4)
N6	−0.08839 (14)	0.74203 (17)	0.35311 (15)	0.0324 (5)
C1	0.39084 (12)	0.32403 (15)	0.54493 (12)	0.0126 (3)
C2	0.33799 (13)	0.37919 (16)	0.65353 (13)	0.0165 (4)
H2A	0.2888	0.3259	0.6262	0.020*
H2B	0.3119	0.4472	0.6646	0.020*
C3	0.40587 (15)	0.33254 (18)	0.73950 (14)	0.0218 (4)
H3A	0.4335	0.2658	0.7284	0.026*
H3B	0.4540	0.3868	0.7680	0.026*
C4	0.40109 (14)	0.51947 (15)	0.58531 (14)	0.0178 (4)
H4	0.4361	0.5203	0.5497	0.021*
C5	0.46023 (15)	0.56990 (17)	0.67257 (15)	0.0227 (4)
H5A	0.5143	0.5255	0.7010	0.034*
H5B	0.4273	0.5723	0.7087	0.034*
H5C	0.4771	0.6443	0.6640	0.034*
C6	0.31638 (15)	0.58567 (17)	0.53696 (15)	0.0238 (4)
H6A	0.2798	0.5495	0.4821	0.036*
H6B	0.3325	0.6592	0.5256	0.036*
H6C	0.2823	0.5909	0.5720	0.036*
C7	0.37201 (13)	−0.09619 (15)	0.52349 (13)	0.0144 (4)
C8	0.26157 (15)	−0.10857 (17)	0.58411 (14)	0.0198 (4)
H8A	0.2988	−0.1687	0.6203	0.024*
H8B	0.1982	−0.1319	0.5609	0.024*
C9	0.27426 (16)	−0.00701 (17)	0.63969 (15)	0.0237 (4)
H9A	0.3383	0.0135	0.6676	0.028*
H9B	0.2400	0.0551	0.6037	0.028*
C10	0.21194 (14)	−0.07222 (17)	0.42431 (14)	0.0207 (4)
H10	0.2392	−0.0431	0.3861	0.025*
C11	0.16893 (16)	−0.1815 (2)	0.38682 (16)	0.0305 (5)
H11A	0.2142	−0.2307	0.3832	0.046*
H11B	0.1211	−0.1701	0.3290	0.046*
H11C	0.1438	−0.2141	0.4241	0.046*
C12	0.14460 (15)	0.0123 (2)	0.42532 (17)	0.0299 (5)
H12A	0.1756	0.0812	0.4491	0.045*
H12B	0.1154	−0.0143	0.4612	0.045*
H12C	0.0994	0.0245	0.3663	0.045*
C13	0.26289 (15)	0.08493 (17)	0.25306 (14)	0.0201 (4)
H13	0.3011	0.0281	0.2507	0.024*
C14	0.17944 (15)	0.09657 (18)	0.18503 (14)	0.0227 (4)
H14	0.1606	0.0482	0.1371	0.027*
C15	0.12347 (14)	0.18035 (17)	0.18798 (14)	0.0209 (4)
H15	0.0665	0.1912	0.1414	0.025*
C16	0.15226 (13)	0.24779 (16)	0.26003 (13)	0.0170 (4)
C17	0.23735 (14)	0.22991 (16)	0.32592 (13)	0.0180 (4)
H17	0.2573	0.2758	0.3753	0.022*
C18	0.09590 (14)	0.33688 (17)	0.26722 (14)	0.0199 (4)
H18	0.0452	0.3609	0.2178	0.024*
C19	0.07322 (14)	0.50864 (18)	0.40903 (15)	0.0234 (4)
H19	0.1193	0.4773	0.4588	0.028*
C20	0.02300 (15)	0.60274 (18)	0.41864 (15)	0.0231 (4)
C21	−0.04395 (15)	0.65334 (19)	0.34710 (16)	0.0256 (5)
H21	−0.0585	0.6232	0.2915	0.031*
C22	−0.06761 (18)	0.7822 (2)	0.4324 (2)	0.0400 (6)
H22	−0.0991	0.8450	0.4374	0.048*
C23	−0.00341 (19)	0.7380 (2)	0.50682 (18)	0.0378 (6)
H23	0.0087	0.7693	0.5615	0.045*
C24	0.04320 (17)	0.6467 (2)	0.50016 (17)	0.0301 (5)
H24	0.0882	0.6145	0.5503	0.036*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cd	0.01391 (8)	0.01315 (7)	0.01351 (8)	0.00222 (5)	0.00533 (6)	−0.00025 (5)
S1	0.0203 (2)	0.0118 (2)	0.0179 (2)	−0.00160 (17)	0.0110 (2)	−0.00003 (17)
S2	0.0168 (2)	0.0131 (2)	0.0133 (2)	−0.00056 (17)	0.00812 (18)	−0.00001 (16)
S3	0.0158 (2)	0.0136 (2)	0.0135 (2)	0.00129 (17)	0.00717 (18)	0.00009 (16)
S4	0.0174 (2)	0.0196 (2)	0.0135 (2)	0.00195 (18)	0.00735 (19)	0.00139 (18)
O1	0.0322 (9)	0.0246 (8)	0.0226 (8)	0.0050 (7)	0.0187 (7)	0.0051 (6)
O2	0.0775 (15)	0.0232 (8)	0.0574 (13)	−0.0139 (9)	0.0583 (13)	−0.0092 (8)
O1W	0.0316 (9)	0.0233 (8)	0.0317 (10)	−0.0008 (7)	0.0172 (8)	−0.0012 (7)
N1	0.0162 (8)	0.0177 (8)	0.0177 (9)	0.0016 (6)	0.0091 (7)	0.0033 (6)
N2	0.0183 (8)	0.0129 (7)	0.0165 (8)	−0.0012 (6)	0.0100 (7)	−0.0009 (6)
N3	0.0198 (8)	0.0160 (8)	0.0145 (8)	0.0015 (7)	0.0044 (7)	−0.0003 (6)
N4	0.0212 (9)	0.0250 (9)	0.0234 (10)	0.0069 (7)	0.0065 (8)	0.0021 (7)
N5	0.0240 (9)	0.0266 (9)	0.0262 (10)	0.0069 (8)	0.0094 (8)	0.0004 (8)
N6	0.0272 (10)	0.0331 (11)	0.0339 (12)	0.0045 (9)	0.0099 (9)	−0.0078 (9)
C1	0.0116 (8)	0.0149 (8)	0.0105 (9)	0.0001 (7)	0.0038 (7)	−0.0003 (7)
C2	0.0178 (9)	0.0181 (9)	0.0172 (10)	0.0006 (7)	0.0110 (8)	−0.0005 (7)
C3	0.0227 (10)	0.0273 (10)	0.0182 (10)	0.0028 (9)	0.0114 (9)	0.0017 (8)
C4	0.0238 (10)	0.0122 (8)	0.0209 (10)	−0.0034 (8)	0.0127 (9)	−0.0024 (7)
C5	0.0266 (11)	0.0169 (9)	0.0247 (11)	−0.0049 (8)	0.0111 (9)	−0.0067 (8)
C6	0.0291 (11)	0.0187 (10)	0.0236 (11)	0.0012 (9)	0.0112 (10)	0.0011 (8)
C7	0.0169 (9)	0.0103 (8)	0.0167 (9)	0.0006 (7)	0.0077 (8)	0.0008 (7)
C8	0.0225 (10)	0.0198 (9)	0.0232 (11)	−0.0011 (8)	0.0155 (9)	0.0016 (8)
C9	0.0310 (11)	0.0208 (10)	0.0301 (12)	0.0005 (9)	0.0232 (10)	0.0020 (9)
C10	0.0156 (9)	0.0241 (10)	0.0210 (11)	0.0016 (8)	0.0064 (8)	0.0035 (8)
C11	0.0277 (12)	0.0285 (12)	0.0278 (13)	−0.0016 (10)	0.0045 (10)	−0.0011 (10)
C12	0.0213 (11)	0.0304 (12)	0.0351 (14)	0.0054 (9)	0.0092 (10)	0.0033 (10)
C13	0.0258 (11)	0.0168 (9)	0.0167 (10)	0.0008 (8)	0.0080 (9)	−0.0008 (8)
C14	0.0294 (11)	0.0223 (10)	0.0141 (10)	−0.0051 (9)	0.0069 (9)	−0.0018 (8)
C15	0.0184 (10)	0.0232 (10)	0.0162 (10)	−0.0042 (8)	0.0026 (8)	0.0029 (8)
C16	0.0164 (9)	0.0163 (9)	0.0175 (10)	−0.0026 (7)	0.0064 (8)	0.0029 (7)
C17	0.0194 (10)	0.0156 (9)	0.0168 (10)	0.0003 (8)	0.0056 (8)	−0.0003 (7)
C18	0.0151 (9)	0.0218 (10)	0.0206 (10)	0.0002 (8)	0.0052 (8)	0.0051 (8)
C19	0.0181 (10)	0.0280 (11)	0.0227 (11)	−0.0007 (8)	0.0073 (9)	0.0030 (9)
C20	0.0209 (10)	0.0259 (10)	0.0247 (11)	−0.0042 (9)	0.0118 (9)	−0.0028 (9)
C21	0.0231 (11)	0.0296 (11)	0.0234 (12)	0.0015 (9)	0.0091 (9)	−0.0041 (9)
C22	0.0339 (14)	0.0411 (14)	0.0447 (16)	0.0055 (12)	0.0162 (13)	−0.0165 (13)
C23	0.0384 (14)	0.0480 (15)	0.0295 (14)	−0.0030 (12)	0.0167 (12)	−0.0160 (12)
C24	0.0289 (12)	0.0369 (13)	0.0246 (12)	−0.0019 (10)	0.0113 (10)	−0.0019 (10)

Geometric parameters (Å, º)

Cd—S1	2.6444 (5)	C5—H5B	0.9800
Cd—S2	2.6768 (5)	C5—H5C	0.9800
Cd—S3	2.7422 (5)	C6—H6A	0.9800
Cd—S3^i	2.7317 (6)	C6—H6B	0.9800
Cd—S4^i	2.6342 (5)	C6—H6C	0.9800
Cd—N3	2.3811 (18)	C8—C9	1.523 (3)
S1—C1	1.7267 (19)	C8—H8A	0.9900
S2—C1	1.7231 (18)	C8—H8B	0.9900
S3—C7	1.7404 (19)	C9—H9A	0.9900
S3—Cd^i	2.7317 (6)	C9—H9B	0.9900
S4—C7	1.714 (2)	C10—C11	1.521 (3)
S4—Cd^i	2.6343 (5)	C10—C12	1.521 (3)
O1—C3	1.426 (2)	C10—H10	1.0000
O1—H1O	0.830 (10)	C11—H11A	0.9800
O2—C9	1.419 (2)	C11—H11B	0.9800
O2—H2O	0.846 (10)	C11—H11C	0.9800
O1W—H1W	0.842 (10)	C12—H12A	0.9800
O1W—H2W	0.847 (10)	C12—H12B	0.9800
N1—C7	1.341 (2)	C12—H12C	0.9800
N1—C8	1.477 (2)	C13—C14	1.383 (3)
N1—C10	1.493 (3)	C13—H13	0.9500
N2—C1	1.345 (2)	C14—C15	1.393 (3)
N2—C2	1.472 (2)	C14—H14	0.9500
N2—C4	1.490 (2)	C15—C16	1.388 (3)
N3—C17	1.337 (3)	C15—H15	0.9500
N3—C13	1.346 (3)	C16—C17	1.396 (3)
N4—C18	1.283 (3)	C16—C18	1.469 (3)
N4—N5	1.415 (2)	C17—H17	0.9500
N5—C19	1.277 (3)	C18—H18	0.9500
N6—C21	1.336 (3)	C19—C20	1.466 (3)
N6—C22	1.342 (3)	C19—H19	0.9500
C2—C3	1.532 (3)	C20—C24	1.396 (3)
C2—H2A	0.9900	C20—C21	1.399 (3)
C2—H2B	0.9900	C21—H21	0.9500
C3—H3A	0.9900	C22—C23	1.377 (4)
C3—H3B	0.9900	C22—H22	0.9500
C4—C6	1.521 (3)	C23—C24	1.386 (4)
C4—C5	1.526 (3)	C23—H23	0.9500
C4—H4	1.0000	C24—H24	0.9500
C5—H5A	0.9800
N3—Cd—S4^i	101.46 (4)	N1—C7—S4	120.60 (15)
N3—Cd—S1	94.50 (4)	N1—C7—S3	120.40 (15)
N3—Cd—S2	90.73 (4)	S4—C7—S3	119.00 (11)
S4^i—Cd—S2	100.522 (15)	N1—C8—C9	111.86 (16)
S1—Cd—S2	67.824 (14)	N1—C8—H8A	109.2
S4^i—Cd—S3^i	67.343 (17)	C9—C8—H8A	109.2
S4^i—Cd—S1	160.481 (17)	N1—C8—H8B	109.2
S2—Cd—S3	167.393 (15)	C9—C8—H8B	109.2
N3—Cd—S3^i	166.35 (4)	H8A—C8—H8B	107.9
S1—Cd—S3^i	98.110 (17)	O2—C9—C8	107.62 (17)
S2—Cd—S3^i	98.831 (15)	O2—C9—H9A	110.2
N3—Cd—S3	86.49 (4)	C8—C9—H9A	110.2
S4^i—Cd—S3	92.082 (15)	O2—C9—H9B	110.2
S1—Cd—S3	100.113 (14)	C8—C9—H9B	110.2
S3^i—Cd—S3	86.184 (15)	H9A—C9—H9B	108.5
C1—S1—Cd	87.09 (6)	N1—C10—C11	110.18 (17)
C1—S2—Cd	86.13 (6)	N1—C10—C12	111.95 (18)
C7—S3—Cd^i	84.87 (7)	C11—C10—C12	112.89 (19)
C7—S3—Cd	97.23 (6)	N1—C10—H10	107.2
Cd^i—S3—Cd	93.816 (15)	C11—C10—H10	107.2
C7—S4—Cd^i	88.51 (7)	C12—C10—H10	107.2
C3—O1—H1O	108 (2)	C10—C11—H11A	109.5
C9—O2—H2O	107 (3)	C10—C11—H11B	109.5
H1W—O1W—H2W	106 (3)	H11A—C11—H11B	109.5
C7—N1—C8	120.49 (17)	C10—C11—H11C	109.5
C7—N1—C10	121.81 (16)	H11A—C11—H11C	109.5
C8—N1—C10	117.33 (16)	H11B—C11—H11C	109.5
C1—N2—C2	121.05 (16)	C10—C12—H12A	109.5
C1—N2—C4	121.41 (16)	C10—C12—H12B	109.5
C2—N2—C4	117.38 (15)	H12A—C12—H12B	109.5
C17—N3—C13	118.42 (18)	C10—C12—H12C	109.5
C17—N3—Cd	115.48 (14)	H12A—C12—H12C	109.5
C13—N3—Cd	126.01 (14)	H12B—C12—H12C	109.5
C18—N4—N5	111.56 (18)	N3—C13—C14	122.51 (19)
C19—N5—N4	111.02 (19)	N3—C13—H13	118.7
C21—N6—C22	117.4 (2)	C14—C13—H13	118.7
N2—C1—S2	121.63 (14)	C13—C14—C15	118.9 (2)
N2—C1—S1	119.59 (14)	C13—C14—H14	120.5
S2—C1—S1	118.77 (11)	C15—C14—H14	120.5
N2—C2—C3	111.96 (16)	C16—C15—C14	119.0 (2)
N2—C2—H2A	109.2	C16—C15—H15	120.5
C3—C2—H2A	109.2	C14—C15—H15	120.5
N2—C2—H2B	109.2	C15—C16—C17	118.27 (19)
C3—C2—H2B	109.2	C15—C16—C18	121.51 (19)
H2A—C2—H2B	107.9	C17—C16—C18	120.22 (19)
O1—C3—C2	111.22 (17)	N3—C17—C16	122.88 (19)
O1—C3—H3A	109.4	N3—C17—H17	118.6
C2—C3—H3A	109.4	C16—C17—H17	118.6
O1—C3—H3B	109.4	N4—C18—C16	119.52 (19)
C2—C3—H3B	109.4	N4—C18—H18	120.2
H3A—C3—H3B	108.0	C16—C18—H18	120.2
N2—C4—C6	110.94 (17)	N5—C19—C20	121.0 (2)
N2—C4—C5	111.74 (17)	N5—C19—H19	119.5
C6—C4—C5	112.17 (17)	C20—C19—H19	119.5
N2—C4—H4	107.2	C24—C20—C21	118.1 (2)
C6—C4—H4	107.2	C24—C20—C19	120.3 (2)
C5—C4—H4	107.2	C21—C20—C19	121.6 (2)
C4—C5—H5A	109.5	N6—C21—C20	123.2 (2)
C4—C5—H5B	109.5	N6—C21—H21	118.4
H5A—C5—H5B	109.5	C20—C21—H21	118.4
C4—C5—H5C	109.5	N6—C22—C23	123.9 (2)
H5A—C5—H5C	109.5	N6—C22—H22	118.0
H5B—C5—H5C	109.5	C23—C22—H22	118.0
C4—C6—H6A	109.5	C22—C23—C24	118.5 (2)
C4—C6—H6B	109.5	C22—C23—H23	120.8
H6A—C6—H6B	109.5	C24—C23—H23	120.8
C4—C6—H6C	109.5	C23—C24—C20	119.0 (2)
H6A—C6—H6C	109.5	C23—C24—H24	120.5
H6B—C6—H6C	109.5	C20—C24—H24	120.5
C18—N4—N5—C19	176.5 (2)	C7—N1—C10—C11	96.7 (2)
C2—N2—C1—S2	177.27 (14)	C8—N1—C10—C11	−76.4 (2)
C4—N2—C1—S2	2.0 (3)	C7—N1—C10—C12	−136.83 (19)
C2—N2—C1—S1	−3.9 (3)	C8—N1—C10—C12	50.1 (2)
C4—N2—C1—S1	−179.22 (14)	C17—N3—C13—C14	0.8 (3)
Cd—S2—C1—N2	174.63 (16)	Cd—N3—C13—C14	177.07 (15)
Cd—S2—C1—S1	−4.16 (10)	N3—C13—C14—C15	0.6 (3)
Cd—S1—C1—N2	−174.61 (16)	C13—C14—C15—C16	−1.6 (3)
Cd—S1—C1—S2	4.21 (11)	C14—C15—C16—C17	1.3 (3)
C1—N2—C2—C3	82.7 (2)	C14—C15—C16—C18	−179.43 (18)
C4—N2—C2—C3	−101.9 (2)	C13—N3—C17—C16	−1.1 (3)
N2—C2—C3—O1	−178.05 (16)	Cd—N3—C17—C16	−177.75 (15)
C1—N2—C4—C6	104.3 (2)	C15—C16—C17—N3	0.0 (3)
C2—N2—C4—C6	−71.1 (2)	C18—C16—C17—N3	−179.23 (18)
C1—N2—C4—C5	−129.72 (19)	N5—N4—C18—C16	178.04 (17)
C2—N2—C4—C5	54.8 (2)	C15—C16—C18—N4	165.2 (2)
C8—N1—C7—S4	−6.0 (2)	C17—C16—C18—N4	−15.5 (3)
C10—N1—C7—S4	−178.81 (14)	N4—N5—C19—C20	176.96 (18)
C8—N1—C7—S3	173.68 (14)	N5—C19—C20—C24	−179.4 (2)
C10—N1—C7—S3	0.9 (3)	N5—C19—C20—C21	−1.6 (3)
Cd^i—S4—C7—N1	174.52 (15)	C22—N6—C21—C20	−1.0 (4)
Cd^i—S4—C7—S3	−5.15 (10)	C24—C20—C21—N6	0.8 (3)
Cd^i—S3—C7—N1	−174.68 (15)	C19—C20—C21—N6	−177.0 (2)
Cd—S3—C7—N1	92.11 (15)	C21—N6—C22—C23	0.4 (4)
Cd^i—S3—C7—S4	4.99 (10)	N6—C22—C23—C24	0.3 (5)
Cd—S3—C7—S4	−88.22 (11)	C22—C23—C24—C20	−0.4 (4)
C7—N1—C8—C9	84.0 (2)	C21—C20—C24—C23	−0.1 (3)
C10—N1—C8—C9	−102.9 (2)	C19—C20—C24—C23	177.8 (2)
N1—C8—C9—O2	175.92 (19)

Symmetry code: (i) −x+1, −y, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1O···O2^ii	0.83 (2)	1.83 (3)	2.655 (3)	172 (3)
O2—H2O···O1W	0.85 (3)	1.80 (3)	2.640 (3)	180 (6)
O1W—H1W···O1	0.84 (3)	1.92 (3)	2.750 (3)	172 (3)
O1W—H2W···N6^iii	0.85 (2)	2.00 (2)	2.840 (3)	172 (2)
C23—H23···O1^ii	0.95	2.50	3.295 (3)	141
C4—H4···S2^iv	1.00	2.79	3.599 (2)	139
C15—H15···S2^v	0.95	2.84	3.714 (2)	153
C15—H15···Cg(Cd,S1,S2,C1)^vi	0.95	2.79	3.737 (2)	173

Symmetry codes: (ii) −x+1/2, y+1/2, −z+3/2; (iii) −x, −y+1, −z+1; (iv) −x+1, −y+1, −z+1; (v) x−1/2, −y+1/2, z−1/2; (vi) x−3/2, −y−1/2, z−3/2.