Poly[aqua-hexa-benzimidazole-octa-μ-cyanido-octa-cyanidotricopper(II)ditungstate(V)].

In the polymeric title compound, [Cu(3)W(2)(CN)(16)(C(7)H(6)N(2))(6)(H(2)O)](n), the coordination geometry of the W(V) atom is eight-coordinate dodeca-hedral, where four CN groups of [W(CN)(8)] are bridged to Cu(II) ions, and the other four CN groups are not bridged. The coordination geometries of the Cu(II) ions are five-coordinate pseudo-square-based pyramidal. There are two distinct Cu sites, which build and link the cyanido-bridged Cu-W ladder chains. Successive connections lead to the formation of a two-dimensional network. The H atoms of a coordinated water molecule and the imino groups form hydrogen bonds to the N atoms of non-bridged CN groups.

Related literature

For general background to mol­ecule-based magnets, see: Catala et al. (2005 ▶); Garde et al. (1999 ▶); Herrera et al. (2004 ▶, 2008 ▶); Kosaka et al. (2009 ▶); Leipoldt et al. (1994 ▶); Ohkoshi et al. (2006 ▶, 2007 ▶, 2008 ▶); Sieklucka et al. (2009 ▶); Zhong et al. (2000 ▶). For related structures, see: Ohkoshi et al. (2003 ▶); Podgajny et al. (2002 ▶); Kaneko et al. (2007 ▶).

Experimental

Crystal data

[Cu3W2(CN)16(C7H6N2)6(H2O)]

M = 1701.46

Monoclinic,

a = 32.0103 (8) Å

b = 10.2389 (3) Å

c = 19.5533 (5) Å

β = 93.8269 (8)°

V = 6394.3 (3) Å3

Z = 4

Mo Kα radiation

μ = 4.63 mm−1

T = 296 K

0.45 × 0.12 × 0.08 mm

Data collection

Rigaku R-AXIS RAPID diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.327, T max = 0.690

31073 measured reflections

7321 independent reflections

6376 reflections with I > 2σ(I)

R int = 0.059

Refinement

R[F 2 > 2σ(F 2)] = 0.030

wR(F 2) = 0.085

S = 1.02

7321 reflections

421 parameters

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 1.85 e Å−3

Δρmin = −1.08 e Å−3

Data collection: PROCESS-AUTO (Rigaku, 1998 ▶); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku, 2007 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶) and VESTA (Momma & Izumi, 2006 ▶); software used to prepare material for publication: CrystalStructure .

Crystal structure: contains datablocks I, global. DOI: 10.1107/S160053681000841X/pk2226sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053681000841X/pk2226Isup2.hkl

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

[Cu3W2(CN)16(C7H6N2)6(H2O)]	F(000) = 3300.00
Mr = 1701.46	Dx = 1.767 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71075 Å
Hall symbol: -C 2yc	Cell parameters from 24759 reflections
a = 32.0103 (8) Å	θ = 3.0–27.5°
b = 10.2389 (3) Å	µ = 4.63 mm−1
c = 19.5533 (5) Å	T = 296 K
β = 93.8269 (8)°	Stick, blue
V = 6394.3 (3) Å3	0.45 × 0.12 × 0.08 mm
Z = 4

Rigaku R-AXIS RAPID diffractometer	6376 reflections with F2 > 2σ(F2)
Detector resolution: 10.00 pixels mm-1	Rint = 0.059
ω scans	θmax = 27.5°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −39→41
Tmin = 0.327, Tmax = 0.690	k = −13→13
31073 measured reflections	l = −25→24
7321 independent reflections

Refinement on F2	0 restraints
R[F2 > 2σ(F2)] = 0.030	H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.085	w = 1/[σ2(Fo2) + (0.043P)2 + 13.526P] where P = (Fo2 + 2Fc2)/3
S = 1.02	(Δ/σ)max = 0.002
7321 reflections	Δρmax = 1.85 e Å−3
421 parameters	Δρmin = −1.08 e Å−3

Refinement. Refinement was performed using all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F2. R-factor (gt) are based on F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt).

	x	y	z	Uiso*/Ueq
W(1)	0.145909 (4)	0.677683 (13)	0.197487 (7)	0.01965 (5)
Cu(2)	0.0000	0.49203 (8)	0.2500	0.03412 (16)
Cu(1)	0.188606 (15)	1.17685 (4)	0.21356 (2)	0.02394 (11)
O(1)	0.0000	0.7293 (9)	0.2500	0.122 (3)
N(2)	0.05975 (11)	0.5193 (3)	0.23372 (18)	0.0370 (8)
N(1)	0.17619 (12)	0.9853 (3)	0.21299 (18)	0.0346 (7)
N(3)	0.17679 (12)	0.3708 (3)	0.21001 (18)	0.0342 (7)
N(4)	0.24430 (12)	0.6811 (3)	0.26064 (19)	0.0339 (8)
N(5)	0.10782 (14)	0.5221 (4)	0.0592 (2)	0.0526 (11)
N(6)	0.06447 (17)	0.8632 (4)	0.1550 (3)	0.0742 (16)
N(7)	0.13445 (14)	0.7107 (5)	0.36327 (19)	0.0533 (11)
N(8)	0.19927 (14)	0.7590 (4)	0.06671 (18)	0.0495 (10)
N(9)	0.01423 (12)	0.4524 (4)	0.34652 (19)	0.0422 (9)
N(10)	0.04890 (15)	0.4583 (5)	0.4471 (2)	0.0610 (12)
N(11)	0.17406 (12)	1.1776 (3)	0.31062 (18)	0.0334 (8)
N(12)	0.17738 (19)	1.1969 (4)	0.4229 (2)	0.0611 (13)
N(13)	0.18846 (12)	1.1756 (3)	0.11163 (18)	0.0306 (7)
N(14)	0.16506 (13)	1.2126 (4)	0.00448 (19)	0.0410 (8)
C(2)	0.09067 (13)	0.5704 (4)	0.22258 (19)	0.0295 (8)
C(1)	0.16532 (12)	0.8801 (3)	0.21138 (19)	0.0276 (8)
C(3)	0.16736 (12)	0.4779 (3)	0.20814 (18)	0.0253 (7)
C(4)	0.21022 (13)	0.6805 (3)	0.2396 (2)	0.0276 (8)
C(5)	0.12014 (14)	0.5790 (4)	0.1062 (2)	0.0339 (9)
C(6)	0.09391 (15)	0.8020 (4)	0.1676 (2)	0.0399 (10)
C(7)	0.13846 (14)	0.7019 (4)	0.3060 (2)	0.0334 (9)
C(8)	0.18115 (14)	0.7292 (4)	0.11189 (19)	0.0329 (8)
C(9)	0.04547 (15)	0.5048 (5)	0.3837 (2)	0.0499 (12)
C(10)	−0.00421 (16)	0.3619 (5)	0.3883 (2)	0.0478 (11)
C(11)	−0.03601 (18)	0.2733 (6)	0.3741 (3)	0.0692 (16)
C(12)	−0.0462 (2)	0.1936 (7)	0.4281 (5)	0.097 (2)
C(13)	−0.0237 (3)	0.2026 (9)	0.4940 (5)	0.111 (3)
C(14)	0.0073 (3)	0.2874 (8)	0.5065 (3)	0.086 (2)
C(15)	0.01723 (19)	0.3657 (6)	0.4523 (2)	0.0585 (14)
C(16)	0.19871 (18)	1.2102 (5)	0.3653 (2)	0.0452 (11)
C(17)	0.13574 (16)	1.1428 (4)	0.3341 (2)	0.0422 (10)
C(18)	0.09927 (18)	1.1010 (6)	0.2988 (3)	0.0673 (16)
C(19)	0.0650 (2)	1.0730 (8)	0.3375 (6)	0.111 (3)
C(20)	0.0680 (3)	1.0858 (9)	0.4067 (6)	0.117 (3)
C(21)	0.1033 (3)	1.1243 (8)	0.4433 (4)	0.104 (3)
C(22)	0.1385 (2)	1.1537 (5)	0.4053 (3)	0.0569 (14)
C(23)	0.15930 (14)	1.2307 (4)	0.0704 (2)	0.0365 (9)
C(24)	0.21615 (14)	1.1184 (4)	0.0683 (2)	0.0328 (8)
C(25)	0.25409 (15)	1.0524 (4)	0.0820 (2)	0.0426 (10)
C(26)	0.27512 (18)	1.0159 (5)	0.0266 (3)	0.0545 (13)
C(27)	0.2601 (2)	1.0414 (5)	−0.0407 (2)	0.0577 (14)
C(28)	0.2242 (2)	1.1052 (5)	−0.0553 (2)	0.0526 (13)
C(29)	0.20135 (17)	1.1435 (4)	0.0004 (2)	0.0394 (10)
H(1)	0.025 (3)	0.784 (12)	0.233 (6)	0.20 (5)*
H(9)	0.0633	0.5677	0.3674	0.060*
H(10N)	0.0672	0.4809	0.4791	0.073*
H(11)	−0.0499	0.2671	0.3309	0.083*
H(12)	−0.0679	0.1336	0.4215	0.116*
H(12N)	0.1873	1.2136	0.4639	0.073*
H(13)	−0.0311	0.1475	0.5291	0.133*
H(14)	0.0215	0.2937	0.5494	0.103*
H(14N)	0.1489	1.2395	−0.0295	0.049*
H(16)	0.2264	1.2378	0.3643	0.054*
H(18)	0.0975	1.0918	0.2514	0.081*
H(19)	0.0399	1.0454	0.3155	0.133*
H(20)	0.0445	1.0671	0.4304	0.140*
H(21)	0.1045	1.1312	0.4908	0.124*
H(23)	0.1369	1.2775	0.0860	0.044*
H(25)	0.2644	1.0343	0.1265	0.051*
H(26)	0.3005	0.9722	0.0341	0.065*
H(27)	0.2756	1.0132	−0.0765	0.069*
H(28)	0.2147	1.1234	−0.1002	0.063*

	U11	U22	U33	U12	U13	U23
W(1)	0.02408 (10)	0.01523 (9)	0.01913 (9)	0.00006 (5)	−0.00245 (6)	−0.00061 (5)
Cu(2)	0.0216 (3)	0.0477 (4)	0.0322 (3)	0.0000	−0.0040 (2)	0.0000
Cu(1)	0.0300 (2)	0.0160 (2)	0.0255 (2)	0.00025 (17)	−0.0012 (2)	−0.00081 (16)
O(1)	0.105 (6)	0.069 (5)	0.200 (10)	0.0000	0.080 (6)	0.0000
N(2)	0.0287 (18)	0.044 (2)	0.0377 (19)	−0.0043 (15)	−0.0018 (15)	−0.0010 (15)
N(1)	0.048 (2)	0.0204 (17)	0.0353 (18)	−0.0029 (15)	0.0027 (16)	−0.0029 (13)
N(3)	0.045 (2)	0.0225 (18)	0.0347 (18)	0.0024 (15)	−0.0027 (15)	0.0004 (14)
N(4)	0.0310 (19)	0.033 (2)	0.037 (2)	−0.0025 (13)	−0.0035 (16)	0.0025 (13)
N(5)	0.070 (2)	0.050 (2)	0.035 (2)	−0.006 (2)	−0.017 (2)	−0.0103 (18)
N(6)	0.068 (3)	0.042 (2)	0.107 (4)	0.020 (2)	−0.031 (3)	−0.001 (2)
N(7)	0.055 (2)	0.079 (3)	0.0264 (19)	−0.017 (2)	0.0053 (18)	−0.0072 (18)
N(8)	0.069 (2)	0.052 (2)	0.0286 (18)	−0.014 (2)	0.0124 (19)	−0.0029 (17)
N(9)	0.0318 (19)	0.058 (2)	0.0361 (19)	−0.0047 (17)	−0.0057 (16)	0.0074 (17)
N(10)	0.058 (2)	0.083 (3)	0.040 (2)	0.004 (2)	−0.015 (2)	0.004 (2)
N(11)	0.042 (2)	0.0267 (18)	0.0315 (18)	0.0020 (14)	0.0016 (16)	−0.0003 (12)
N(12)	0.097 (4)	0.059 (3)	0.028 (2)	0.015 (2)	0.009 (2)	−0.0020 (18)
N(13)	0.0363 (19)	0.0273 (18)	0.0283 (17)	0.0036 (13)	0.0021 (15)	0.0009 (12)
N(14)	0.046 (2)	0.046 (2)	0.0304 (18)	0.0035 (18)	−0.0019 (16)	0.0012 (16)
C(2)	0.030 (2)	0.032 (2)	0.0264 (18)	−0.0022 (16)	−0.0030 (16)	−0.0040 (15)
C(1)	0.034 (2)	0.0203 (19)	0.0285 (18)	−0.0010 (15)	0.0013 (16)	−0.0035 (14)
C(3)	0.0311 (19)	0.0179 (18)	0.0262 (17)	0.0002 (14)	−0.0043 (15)	0.0004 (13)
C(4)	0.032 (2)	0.023 (2)	0.0271 (19)	−0.0037 (14)	−0.0003 (17)	0.0012 (14)
C(5)	0.041 (2)	0.030 (2)	0.030 (2)	−0.0001 (17)	−0.0059 (18)	0.0013 (16)
C(6)	0.036 (2)	0.028 (2)	0.054 (2)	0.0076 (17)	−0.010 (2)	−0.0015 (18)
C(7)	0.030 (2)	0.038 (2)	0.033 (2)	−0.0081 (17)	0.0011 (17)	−0.0037 (17)
C(8)	0.042 (2)	0.033 (2)	0.0233 (18)	−0.0021 (18)	0.0009 (17)	−0.0063 (16)
C(9)	0.037 (2)	0.073 (3)	0.038 (2)	−0.007 (2)	−0.010 (2)	0.000 (2)
C(10)	0.039 (2)	0.054 (3)	0.051 (2)	0.009 (2)	0.007 (2)	0.013 (2)
C(11)	0.046 (3)	0.060 (3)	0.102 (4)	0.002 (2)	0.009 (3)	0.013 (3)
C(12)	0.075 (5)	0.057 (4)	0.163 (9)	0.003 (3)	0.038 (5)	0.037 (4)
C(13)	0.132 (8)	0.083 (6)	0.123 (7)	0.032 (5)	0.053 (6)	0.063 (5)
C(14)	0.112 (6)	0.084 (5)	0.065 (4)	0.031 (4)	0.033 (4)	0.035 (3)
C(15)	0.062 (3)	0.067 (3)	0.047 (2)	0.024 (3)	0.006 (2)	0.011 (2)
C(16)	0.059 (3)	0.044 (2)	0.032 (2)	0.003 (2)	−0.002 (2)	−0.0059 (19)
C(17)	0.051 (2)	0.026 (2)	0.052 (2)	0.0041 (19)	0.015 (2)	−0.0012 (19)
C(18)	0.050 (3)	0.056 (3)	0.096 (4)	−0.002 (2)	0.014 (3)	−0.016 (3)
C(19)	0.058 (4)	0.086 (6)	0.197 (10)	−0.015 (3)	0.059 (5)	−0.046 (6)
C(20)	0.099 (6)	0.081 (6)	0.181 (10)	−0.019 (5)	0.093 (7)	−0.022 (6)
C(21)	0.163 (9)	0.063 (4)	0.096 (5)	0.017 (5)	0.086 (6)	0.011 (4)
C(22)	0.076 (4)	0.042 (3)	0.056 (3)	0.005 (2)	0.031 (3)	0.003 (2)
C(23)	0.043 (2)	0.035 (2)	0.031 (2)	0.0034 (19)	0.0008 (18)	−0.0015 (17)
C(24)	0.043 (2)	0.021 (2)	0.034 (2)	−0.0031 (17)	0.0031 (18)	−0.0004 (15)
C(25)	0.049 (2)	0.032 (2)	0.046 (2)	0.005 (2)	0.003 (2)	−0.0017 (19)
C(26)	0.058 (3)	0.036 (2)	0.071 (3)	0.010 (2)	0.019 (2)	−0.005 (2)
C(27)	0.081 (4)	0.042 (3)	0.055 (3)	0.000 (2)	0.032 (2)	−0.009 (2)
C(28)	0.084 (4)	0.039 (2)	0.036 (2)	−0.002 (2)	0.015 (2)	−0.004 (2)
C(29)	0.060 (3)	0.027 (2)	0.032 (2)	−0.004 (2)	0.003 (2)	0.0008 (16)

W(1)—C(2)	2.165 (4)	C(10)—C(15)	1.388 (7)
W(1)—C(1)	2.176 (3)	C(11)—C(12)	1.390 (12)
W(1)—C(3)	2.163 (3)	C(12)—C(13)	1.436 (14)
W(1)—C(4)	2.166 (4)	C(13)—C(14)	1.329 (13)
W(1)—C(5)	2.166 (3)	C(14)—C(15)	1.383 (10)
W(1)—C(6)	2.145 (4)	C(17)—C(18)	1.384 (7)
W(1)—C(7)	2.165 (4)	C(17)—C(22)	1.394 (7)
W(1)—C(8)	2.146 (4)	C(18)—C(19)	1.403 (11)
Cu(2)—N(2)	1.980 (3)	C(19)—C(20)	1.356 (17)
Cu(2)—N(2)i	1.980 (3)	C(20)—C(21)	1.355 (14)
Cu(2)—N(9)	1.954 (3)	C(21)—C(22)	1.421 (12)
Cu(2)—N(9)i	1.954 (3)	C(24)—C(25)	1.400 (6)
Cu(1)—N(1)	2.001 (3)	C(24)—C(29)	1.403 (5)
Cu(1)—N(3)ii	2.022 (3)	C(25)—C(26)	1.364 (7)
Cu(1)—N(4)iii	2.174 (3)	C(26)—C(27)	1.396 (7)
Cu(1)—N(11)	1.984 (3)	C(27)—C(28)	1.335 (8)
Cu(1)—N(13)	1.993 (3)	C(28)—C(29)	1.408 (7)
N(2)—C(2)	1.153 (5)	O(1)—H(1)	1.05 (12)
N(1)—C(1)	1.131 (5)	O(1)—H(1)i	1.05 (12)
N(3)—C(3)	1.137 (5)	N(10)—H(10N)	0.860
N(4)—C(4)	1.140 (5)	N(12)—H(12N)	0.860
N(5)—C(5)	1.136 (5)	N(14)—H(14N)	0.860
N(6)—C(6)	1.145 (6)	C(9)—H(9)	0.930
N(7)—C(7)	1.139 (5)	C(11)—H(11)	0.930
N(8)—C(8)	1.131 (5)	C(12)—H(12)	0.930
N(9)—C(9)	1.312 (6)	C(13)—H(13)	0.930
N(9)—C(10)	1.392 (6)	C(14)—H(14)	0.930
N(10)—C(9)	1.326 (6)	C(16)—H(16)	0.930
N(10)—C(15)	1.396 (8)	C(18)—H(18)	0.930
N(11)—C(16)	1.327 (5)	C(19)—H(19)	0.930
N(11)—C(17)	1.385 (6)	C(20)—H(20)	0.930
N(12)—C(16)	1.362 (7)	C(21)—H(21)	0.930
N(12)—C(22)	1.345 (8)	C(23)—H(23)	0.930
N(13)—C(23)	1.318 (5)	C(25)—H(25)	0.930
N(13)—C(24)	1.394 (5)	C(26)—H(26)	0.930
N(14)—C(23)	1.328 (5)	C(27)—H(27)	0.930
N(14)—C(29)	1.367 (6)	C(28)—H(28)	0.930
C(10)—C(11)	1.378 (8)
N(5)···N(10)iv	2.802 (5)	C(27)···H(12N)vi	3.506
N(7)···N(14)v	2.973 (5)	C(27)···H(16)vi	3.538
N(8)···N(12)vi	2.889 (5)	C(28)···H(12N)vi	3.500
N(8)···C(26)vii	3.482 (6)	H(9)···H(14)ix	3.551
N(8)···C(27)vii	3.391 (7)	H(10N)···N(5)viii	1.968
N(10)···N(5)viii	2.802 (5)	H(10N)···C(5)viii	2.976
N(10)···C(14)ix	3.324 (10)	H(10N)···C(13)ix	3.580
N(10)···C(15)ix	3.485 (7)	H(10N)···C(14)ix	3.389
N(12)···N(8)v	2.889 (5)	H(10N)···C(15)ix	3.472
N(12)···C(28)v	3.451 (7)	H(11)···C(18)xii	3.360
N(14)···N(7)vi	2.973 (5)	H(11)···H(18)xii	2.795
N(14)···C(26)x	3.453 (6)	H(11)···H(23)xii	3.320
N(14)···C(27)x	3.515 (7)	H(12)···N(6)xii	3.152
C(9)···C(14)ix	3.531 (10)	H(12)···C(23)xii	3.104
C(14)···N(10)ix	3.324 (10)	H(12)···H(18)xii	3.476
C(14)···C(9)ix	3.531 (10)	H(12)···H(20)ix	3.589
C(15)···N(10)ix	3.485 (7)	H(12)···H(21)ix	3.453
C(15)···C(15)ix	3.539 (8)	H(12)···H(23)xii	2.652
C(23)···C(27)x	3.555 (7)	H(12N)···N(8)v	2.040
C(24)···C(28)x	3.433 (7)	H(12N)···C(8)v	2.971
C(26)···N(8)vii	3.482 (6)	H(12N)···C(27)v	3.506
C(26)···N(14)x	3.453 (6)	H(12N)···C(28)v	3.500
C(27)···N(8)vii	3.391 (7)	H(13)···C(20)ix	2.980
C(27)···N(14)x	3.515 (7)	H(13)···H(20)ix	2.384
C(27)···C(23)x	3.555 (7)	H(14)···N(5)viii	3.340
C(27)···C(29)x	3.524 (7)	H(14)···N(6)viii	2.890
C(28)···N(12)vi	3.451 (7)	H(14)···N(9)ix	3.538
C(28)···C(24)x	3.433 (7)	H(14)···N(10)ix	3.399
C(29)···C(27)x	3.524 (7)	H(14)···C(5)viii	3.525
N(3)···H(27)vii	3.329	H(14)···C(6)viii	3.310
N(4)···H(28)v	3.556	H(14)···C(9)ix	3.307
N(5)···H(10N)iv	1.968	H(14)···H(9)ix	3.551
N(5)···H(14)iv	3.340	H(14N)···N(7)vi	2.177
N(5)···H(26)vii	3.558	H(14N)···C(7)vi	3.267
N(6)···H(12)xi	3.152	H(14N)···C(26)x	3.489
N(6)···H(14)iv	2.890	H(14N)···H(26)x	3.371
N(6)···H(21)vi	3.534	H(16)···C(27)v	3.538
N(7)···H(14N)v	2.177	H(16)···H(27)v	3.190
N(7)···H(28)v	3.123	H(18)···C(11)xi	3.566
N(8)···H(12N)vi	2.040	H(18)···H(11)xi	2.795
N(8)···H(21)vi	3.475	H(18)···H(12)xi	3.476
N(8)···H(26)vii	3.080	H(20)···C(13)ix	3.222
N(8)···H(27)vii	2.904	H(20)···H(12)ix	3.589
N(9)···H(14)ix	3.538	H(20)···H(13)ix	2.384
N(10)···H(14)ix	3.399	H(21)···N(6)v	3.534
N(12)···H(28)v	3.531	H(21)···N(8)v	3.475
N(13)···H(27)x	3.472	H(21)···C(6)v	3.561
N(14)···H(26)x	3.508	H(21)···C(8)v	3.591
C(3)···H(27)vii	3.255	H(21)···H(12)ix	3.453
C(5)···H(10N)iv	2.976	H(23)···C(11)xi	3.374
C(5)···H(14)iv	3.525	H(23)···C(12)xi	3.024
C(5)···H(27)vii	3.555	H(23)···H(11)xi	3.320
C(6)···H(14)iv	3.310	H(23)···H(12)xi	2.652
C(6)···H(21)vi	3.561	H(23)···H(27)x	3.542
C(7)···H(14N)v	3.267	H(26)···N(5)vii	3.558
C(7)···H(28)v	3.453	H(26)···N(8)vii	3.080
C(8)···H(12N)vi	2.971	H(26)···N(14)x	3.508
C(8)···H(21)vi	3.591	H(26)···H(14N)x	3.371
C(8)···H(27)vii	2.947	H(27)···N(3)vii	3.329
C(9)···H(14)ix	3.307	H(27)···N(8)vii	2.904
C(11)···H(18)xii	3.566	H(27)···N(13)x	3.472
C(11)···H(23)xii	3.374	H(27)···C(3)vii	3.255
C(12)···H(23)xii	3.024	H(27)···C(5)vii	3.555
C(13)···H(10N)ix	3.580	H(27)···C(8)vii	2.947
C(13)···H(20)ix	3.222	H(27)···C(16)vi	3.493
C(14)···H(10N)ix	3.389	H(27)···C(23)x	3.348
C(15)···H(10N)ix	3.472	H(27)···H(16)vi	3.190
C(16)···H(27)v	3.493	H(27)···H(23)x	3.542
C(16)···H(28)v	3.513	H(28)···N(4)vi	3.556
C(18)···H(11)xi	3.360	H(28)···N(7)vi	3.123
C(20)···H(13)ix	2.980	H(28)···N(12)vi	3.531
C(23)···H(12)xi	3.104	H(28)···C(7)vi	3.453
C(23)···H(27)x	3.348	H(28)···C(16)vi	3.513
C(24)···H(28)x	3.476	H(28)···C(24)x	3.476
C(25)···H(28)x	3.477	H(28)···C(25)x	3.477
C(26)···H(14N)x	3.489
C(2)—W(1)—C(1)	133.28 (14)	N(9)—C(10)—C(11)	131.1 (5)
C(2)—W(1)—C(3)	75.96 (14)	N(9)—C(10)—C(15)	107.9 (4)
C(2)—W(1)—C(4)	133.67 (14)	C(11)—C(10)—C(15)	120.9 (5)
C(2)—W(1)—C(5)	71.25 (15)	C(10)—C(11)—C(12)	116.2 (6)
C(2)—W(1)—C(6)	74.47 (16)	C(11)—C(12)—C(13)	121.0 (7)
C(2)—W(1)—C(7)	72.00 (15)	C(12)—C(13)—C(14)	122.0 (8)
C(2)—W(1)—C(8)	141.36 (14)	C(13)—C(14)—C(15)	116.5 (7)
C(1)—W(1)—C(3)	143.38 (14)	N(10)—C(15)—C(10)	105.7 (4)
C(1)—W(1)—C(4)	71.55 (13)	N(10)—C(15)—C(14)	130.9 (5)
C(1)—W(1)—C(5)	129.57 (14)	C(10)—C(15)—C(14)	123.3 (6)
C(1)—W(1)—C(6)	71.26 (15)	N(11)—C(16)—N(12)	109.7 (4)
C(1)—W(1)—C(7)	79.50 (15)	N(11)—C(17)—C(18)	130.5 (4)
C(1)—W(1)—C(8)	72.70 (15)	N(11)—C(17)—C(22)	108.2 (4)
C(3)—W(1)—C(4)	71.85 (13)	C(18)—C(17)—C(22)	121.2 (5)
C(3)—W(1)—C(5)	74.89 (14)	C(17)—C(18)—C(19)	117.2 (6)
C(3)—W(1)—C(6)	145.36 (15)	C(18)—C(19)—C(20)	120.8 (7)
C(3)—W(1)—C(7)	93.95 (14)	C(19)—C(20)—C(21)	123.8 (9)
C(3)—W(1)—C(8)	97.32 (15)	C(20)—C(21)—C(22)	116.5 (8)
C(4)—W(1)—C(5)	128.28 (15)	N(12)—C(22)—C(17)	106.0 (5)
C(4)—W(1)—C(6)	142.77 (15)	N(12)—C(22)—C(21)	133.6 (6)
C(4)—W(1)—C(7)	77.88 (15)	C(17)—C(22)—C(21)	120.4 (6)
C(4)—W(1)—C(8)	75.95 (15)	N(13)—C(23)—N(14)	113.3 (4)
C(5)—W(1)—C(6)	78.82 (17)	N(13)—C(24)—C(25)	131.7 (3)
C(5)—W(1)—C(7)	143.17 (16)	N(13)—C(24)—C(29)	108.0 (3)
C(5)—W(1)—C(8)	70.29 (15)	C(25)—C(24)—C(29)	120.1 (4)
C(6)—W(1)—C(7)	93.73 (17)	C(24)—C(25)—C(26)	116.7 (4)
C(6)—W(1)—C(8)	94.60 (17)	C(25)—C(26)—C(27)	122.7 (5)
C(7)—W(1)—C(8)	146.55 (16)	C(26)—C(27)—C(28)	122.0 (5)
N(2)—Cu(2)—N(2)i	163.78 (16)	C(27)—C(28)—C(29)	117.1 (4)
N(2)—Cu(2)—N(9)	91.10 (15)	N(14)—C(29)—C(24)	105.9 (3)
N(2)—Cu(2)—N(9)i	92.26 (15)	N(14)—C(29)—C(28)	132.6 (4)
N(2)i—Cu(2)—N(9)	92.26 (15)	C(24)—C(29)—C(28)	121.4 (4)
N(2)i—Cu(2)—N(9)i	91.10 (15)	H(1)—O(1)—H(1)i	116 (9)
N(9)—Cu(2)—N(9)i	156.03 (18)	C(9)—N(10)—H(10N)	126.4
N(1)—Cu(1)—N(3)ii	157.80 (15)	C(15)—N(10)—H(10N)	126.4
N(1)—Cu(1)—N(4)iii	102.33 (14)	C(16)—N(12)—H(12N)	125.4
N(1)—Cu(1)—N(11)	87.14 (14)	C(22)—N(12)—H(12N)	125.4
N(1)—Cu(1)—N(13)	90.06 (13)	C(23)—N(14)—H(14N)	126.2
N(3)ii—Cu(1)—N(4)iii	99.67 (14)	C(29)—N(14)—H(14N)	126.2
N(3)ii—Cu(1)—N(11)	88.48 (14)	N(9)—C(9)—H(9)	123.7
N(3)ii—Cu(1)—N(13)	89.08 (13)	N(10)—C(9)—H(9)	123.7
N(4)iii—Cu(1)—N(11)	93.97 (14)	C(10)—C(11)—H(11)	121.9
N(4)iii—Cu(1)—N(13)	99.71 (14)	C(12)—C(11)—H(11)	121.9
N(11)—Cu(1)—N(13)	166.32 (15)	C(11)—C(12)—H(12)	119.5
Cu(2)—N(2)—C(2)	160.9 (3)	C(13)—C(12)—H(12)	119.5
Cu(1)—N(1)—C(1)	173.5 (3)	C(12)—C(13)—H(13)	119.0
Cu(1)xiii—N(3)—C(3)	175.4 (3)	C(14)—C(13)—H(13)	119.0
Cu(1)xiv—N(4)—C(4)	172.1 (3)	C(13)—C(14)—H(14)	121.7
Cu(2)—N(9)—C(9)	124.8 (3)	C(15)—C(14)—H(14)	121.8
Cu(2)—N(9)—C(10)	128.6 (3)	N(11)—C(16)—H(16)	125.2
C(9)—N(9)—C(10)	106.5 (3)	N(12)—C(16)—H(16)	125.2
C(9)—N(10)—C(15)	107.3 (4)	C(17)—C(18)—H(18)	121.4
Cu(1)—N(11)—C(16)	127.3 (3)	C(19)—C(18)—H(18)	121.4
Cu(1)—N(11)—C(17)	125.9 (2)	C(18)—C(19)—H(19)	119.6
C(16)—N(11)—C(17)	106.8 (3)	C(20)—C(19)—H(19)	119.6
C(16)—N(12)—C(22)	109.2 (4)	C(19)—C(20)—H(20)	118.1
Cu(1)—N(13)—C(23)	124.3 (3)	C(21)—C(20)—H(20)	118.1
Cu(1)—N(13)—C(24)	130.6 (2)	C(20)—C(21)—H(21)	121.7
C(23)—N(13)—C(24)	105.1 (3)	C(22)—C(21)—H(21)	121.7
C(23)—N(14)—C(29)	107.6 (3)	N(13)—C(23)—H(23)	123.3
W(1)—C(2)—N(2)	175.6 (3)	N(14)—C(23)—H(23)	123.4
W(1)—C(1)—N(1)	174.2 (3)	C(24)—C(25)—H(25)	121.7
W(1)—C(3)—N(3)	175.3 (3)	C(26)—C(25)—H(25)	121.7
W(1)—C(4)—N(4)	178.7 (3)	C(25)—C(26)—H(26)	118.7
W(1)—C(5)—N(5)	176.6 (3)	C(27)—C(26)—H(26)	118.7
W(1)—C(6)—N(6)	174.9 (4)	C(26)—C(27)—H(27)	119.0
W(1)—C(7)—N(7)	177.9 (4)	C(28)—C(27)—H(27)	119.0
W(1)—C(8)—N(8)	178.4 (4)	C(27)—C(28)—H(28)	121.4
N(9)—C(9)—N(10)	112.6 (4)	C(29)—C(28)—H(28)	121.4
C(2)—W(1)—C(1)—N(1)	−131 (3)	N(13)—Cu(1)—N(1)—C(1)	−82 (3)
C(1)—W(1)—C(2)—N(2)	53 (4)	N(3)ii—Cu(1)—N(4)iii—C(4)iii	100 (2)
C(2)—W(1)—C(3)—N(3)	64 (4)	N(4)iii—Cu(1)—N(3)ii—C(3)ii	−165 (4)
C(3)—W(1)—C(2)—N(2)	−153 (4)	N(3)ii—Cu(1)—N(11)—C(16)	−82.6 (3)
C(2)—W(1)—C(4)—N(4)	115 (14)	N(3)ii—Cu(1)—N(11)—C(17)	98.0 (3)
C(4)—W(1)—C(2)—N(2)	160 (4)	N(11)—Cu(1)—N(3)ii—C(3)ii	−72 (4)
C(2)—W(1)—C(5)—N(5)	−89 (6)	N(3)ii—Cu(1)—N(13)—C(23)	−47.8 (3)
C(5)—W(1)—C(2)—N(2)	−74 (4)	N(3)ii—Cu(1)—N(13)—C(24)	133.9 (3)
C(2)—W(1)—C(6)—N(6)	22 (5)	N(13)—Cu(1)—N(3)ii—C(3)ii	95 (4)
C(6)—W(1)—C(2)—N(2)	9(4)	N(4)iii—Cu(1)—N(11)—C(16)	17.0 (3)
C(2)—W(1)—C(7)—N(7)	51 (11)	N(4)iii—Cu(1)—N(11)—C(17)	−162.4 (3)
C(7)—W(1)—C(2)—N(2)	108 (4)	N(11)—Cu(1)—N(4)iii—C(4)iii	11 (2)
C(2)—W(1)—C(8)—N(8)	98 (13)	N(4)iii—Cu(1)—N(13)—C(23)	−147.5 (3)
C(8)—W(1)—C(2)—N(2)	−68 (4)	N(4)iii—Cu(1)—N(13)—C(24)	34.3 (3)
C(1)—W(1)—C(3)—N(3)	−148 (4)	N(13)—Cu(1)—N(4)iii—C(4)iii	−169 (2)
C(3)—W(1)—C(1)—N(1)	93 (3)	N(11)—Cu(1)—N(13)—C(23)	32.0 (7)
C(1)—W(1)—C(4)—N(4)	−112 (14)	N(11)—Cu(1)—N(13)—C(24)	−146.3 (5)
C(4)—W(1)—C(1)—N(1)	95 (3)	N(13)—Cu(1)—N(11)—C(16)	−162.4 (5)
C(1)—W(1)—C(5)—N(5)	140 (6)	N(13)—Cu(1)—N(11)—C(17)	18.1 (7)
C(5)—W(1)—C(1)—N(1)	−30 (3)	Cu(2)—N(2)—C(2)—W(1)	−28 (5)
C(1)—W(1)—C(6)—N(6)	−126 (5)	Cu(1)—N(1)—C(1)—W(1)	95 (4)
C(6)—W(1)—C(1)—N(1)	−87 (3)	Cu(1)xiii—N(3)—C(3)—W(1)	−53 (7)
C(1)—W(1)—C(7)—N(7)	−166 (11)	Cu(1)xiv—N(4)—C(4)—W(1)	11 (16)
C(7)—W(1)—C(1)—N(1)	176 (3)	Cu(2)—N(9)—C(9)—N(10)	−178.3 (3)
C(1)—W(1)—C(8)—N(8)	−42 (13)	Cu(2)—N(9)—C(10)—C(11)	2.3 (8)
C(8)—W(1)—C(1)—N(1)	15 (3)	Cu(2)—N(9)—C(10)—C(15)	178.3 (3)
C(3)—W(1)—C(4)—N(4)	66 (14)	C(9)—N(9)—C(10)—C(11)	−174.8 (6)
C(4)—W(1)—C(3)—N(3)	−150 (4)	C(9)—N(9)—C(10)—C(15)	1.2 (6)
C(3)—W(1)—C(5)—N(5)	−9(6)	C(10)—N(9)—C(9)—N(10)	−1.1 (6)
C(5)—W(1)—C(3)—N(3)	−10 (4)	C(9)—N(10)—C(15)—C(10)	0.3 (6)
C(3)—W(1)—C(6)—N(6)	54 (5)	C(9)—N(10)—C(15)—C(14)	178.9 (7)
C(6)—W(1)—C(3)—N(3)	31 (4)	C(15)—N(10)—C(9)—N(9)	0.5 (6)
C(3)—W(1)—C(7)—N(7)	−22 (11)	Cu(1)—N(11)—C(16)—N(12)	−179.4 (3)
C(7)—W(1)—C(3)—N(3)	134 (4)	Cu(1)—N(11)—C(17)—C(18)	−0.3 (5)
C(3)—W(1)—C(8)—N(8)	174 (13)	Cu(1)—N(11)—C(17)—C(22)	178.7 (3)
C(8)—W(1)—C(3)—N(3)	−78 (4)	C(16)—N(11)—C(17)—C(18)	−179.8 (3)
C(4)—W(1)—C(5)—N(5)	42 (7)	C(16)—N(11)—C(17)—C(22)	−0.9 (5)
C(5)—W(1)—C(4)—N(4)	14 (14)	C(17)—N(11)—C(16)—N(12)	0.1 (4)
C(4)—W(1)—C(6)—N(6)	−123 (5)	C(16)—N(12)—C(22)—C(17)	−1.3 (6)
C(6)—W(1)—C(4)—N(4)	−115 (14)	C(16)—N(12)—C(22)—C(21)	−179.3 (7)
C(4)—W(1)—C(7)—N(7)	−93 (11)	C(22)—N(12)—C(16)—N(11)	0.7 (6)
C(7)—W(1)—C(4)—N(4)	165 (14)	Cu(1)—N(13)—C(23)—N(14)	−177.5 (3)
C(4)—W(1)—C(8)—N(8)	−117 (13)	Cu(1)—N(13)—C(24)—C(25)	−5.3 (6)
C(8)—W(1)—C(4)—N(4)	−36 (14)	Cu(1)—N(13)—C(24)—C(29)	178.5 (3)
C(5)—W(1)—C(6)—N(6)	95 (5)	C(23)—N(13)—C(24)—C(25)	176.2 (4)
C(6)—W(1)—C(5)—N(5)	−166 (6)	C(23)—N(13)—C(24)—C(29)	−0.0 (3)
C(5)—W(1)—C(7)—N(7)	48 (11)	C(24)—N(13)—C(23)—N(14)	1.1 (5)
C(7)—W(1)—C(5)—N(5)	−85 (6)	C(23)—N(14)—C(29)—C(24)	1.6 (5)
C(5)—W(1)—C(8)—N(8)	103 (13)	C(23)—N(14)—C(29)—C(28)	−174.7 (5)
C(8)—W(1)—C(5)—N(5)	95 (6)	C(29)—N(14)—C(23)—N(13)	−1.8 (5)
C(6)—W(1)—C(7)—N(7)	124 (11)	N(9)—C(10)—C(11)—C(12)	178.2 (6)
C(7)—W(1)—C(6)—N(6)	−48 (5)	N(9)—C(10)—C(15)—N(10)	−0.9 (6)
C(6)—W(1)—C(8)—N(8)	27 (13)	N(9)—C(10)—C(15)—C(14)	−179.6 (6)
C(8)—W(1)—C(6)—N(6)	164 (5)	C(11)—C(10)—C(15)—N(10)	175.5 (5)
C(7)—W(1)—C(8)—N(8)	−77 (13)	C(11)—C(10)—C(15)—C(14)	−3.2 (10)
C(8)—W(1)—C(7)—N(7)	−132 (11)	C(15)—C(10)—C(11)—C(12)	2.7 (9)
N(2)—Cu(2)—N(2)i—C(2)i	−7.9 (13)	C(10)—C(11)—C(12)—C(13)	−1.5 (11)
N(2)i—Cu(2)—N(2)—C(2)	−7.9 (13)	C(11)—C(12)—C(13)—C(14)	0.6 (13)
N(2)—Cu(2)—N(9)—C(9)	33.0 (4)	C(12)—C(13)—C(14)—C(15)	−0.8 (14)
N(2)—Cu(2)—N(9)—C(10)	−143.5 (4)	C(13)—C(14)—C(15)—N(10)	−176.3 (7)
N(9)—Cu(2)—N(2)—C(2)	−109.8 (10)	C(13)—C(14)—C(15)—C(10)	2.1 (12)
N(2)—Cu(2)—N(9)i—C(9)i	−131.1 (4)	N(11)—C(17)—C(18)—C(19)	−179.7 (5)
N(2)—Cu(2)—N(9)i—C(10)i	52.3 (4)	N(11)—C(17)—C(22)—N(12)	1.3 (5)
N(9)i—Cu(2)—N(2)—C(2)	93.9 (10)	N(11)—C(17)—C(22)—C(21)	179.7 (5)
N(2)i—Cu(2)—N(9)—C(9)	−131.1 (4)	C(18)—C(17)—C(22)—N(12)	−179.6 (4)
N(2)i—Cu(2)—N(9)—C(10)	52.3 (4)	C(18)—C(17)—C(22)—C(21)	−1.3 (8)
N(9)—Cu(2)—N(2)i—C(2)i	93.9 (10)	C(22)—C(17)—C(18)—C(19)	1.4 (8)
N(2)i—Cu(2)—N(9)i—C(9)i	33.0 (4)	C(17)—C(18)—C(19)—C(20)	−0.5 (10)
N(2)i—Cu(2)—N(9)i—C(10)i	−143.5 (4)	C(18)—C(19)—C(20)—C(21)	−0.6 (11)
N(9)i—Cu(2)—N(2)i—C(2)i	−109.8 (10)	C(19)—C(20)—C(21)—C(22)	0.8 (13)
N(9)—Cu(2)—N(9)i—C(9)i	131.1 (4)	C(20)—C(21)—C(22)—N(12)	178.0 (7)
N(9)—Cu(2)—N(9)i—C(10)i	−45.5 (6)	C(20)—C(21)—C(22)—C(17)	0.1 (8)
N(9)i—Cu(2)—N(9)—C(9)	131.1 (4)	N(13)—C(24)—C(25)—C(26)	−175.5 (4)
N(9)i—Cu(2)—N(9)—C(10)	−45.5 (6)	N(13)—C(24)—C(29)—N(14)	−1.0 (4)
N(1)—Cu(1)—N(3)ii—C(3)ii	7(4)	N(13)—C(24)—C(29)—C(28)	175.8 (4)
N(3)ii—Cu(1)—N(1)—C(1)	5(3)	C(25)—C(24)—C(29)—N(14)	−177.8 (4)
N(1)—Cu(1)—N(4)iii—C(4)iii	−77 (2)	C(25)—C(24)—C(29)—C(28)	−0.9 (6)
N(4)iii—Cu(1)—N(1)—C(1)	178 (2)	C(29)—C(24)—C(25)—C(26)	0.3 (6)
N(1)—Cu(1)—N(11)—C(16)	119.2 (3)	C(24)—C(25)—C(26)—C(27)	−0.3 (6)
N(1)—Cu(1)—N(11)—C(17)	−60.3 (3)	C(25)—C(26)—C(27)—C(28)	0.9 (8)
N(11)—Cu(1)—N(1)—C(1)	84 (2)	C(26)—C(27)—C(28)—C(29)	−1.4 (8)
N(1)—Cu(1)—N(13)—C(23)	110.0 (3)	C(27)—C(28)—C(29)—N(14)	177.3 (5)
N(1)—Cu(1)—N(13)—C(24)	−68.3 (3)	C(27)—C(28)—C(29)—C(24)	1.5 (7)

D—H···A	D—H	H···A	D···A	D—H···A
O(1)—H(1)···N(6)	1.05 (12)	2.20 (12)	3.178 (7)	154 (10)
N(10)—H(10N)···N(5)viii	0.86	1.97	2.802 (5)	163
N(12)—H(12N)···N(8)v	0.86	2.04	2.888 (5)	169
N(14)—H(14N)···N(7)vi	0.86	2.18	2.973 (5)	154

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1⋯N6	1.05 (12)	2.20 (12)	3.178 (7)	154 (10)
N10—H10N⋯N5i	0.86	1.97	2.802 (5)	163
N12—H12N⋯N8ii	0.86	2.04	2.888 (5)	169
N14—H14N⋯N7iii	0.86	2.18	2.973 (5)	154

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