Dichlorido[μ-10,21-dimethyl-2,7,13,18-tetra-phenyl-3,6,14,17-tetra-aza-tricyclo-[17.3.1.1]tetra-cosa-1(23),2,6,8,10,12(24),13,17,19,21-deca-ene-23,24-diolato]dicopper(II) ethanol hemisolvate dihydrate.

The dinuclear title complex, [Cu(2)(C(46)H(38)N(4)O(2))Cl(2)]·0.5C(2)H(5)OH·2H(2)O, is located on crystallographic inversion centres with two half-mol-ecules in the asymmetric unit. The two Cu(II) atoms are coordinated by a hexa-dentate dianionic ligand formed in situ from the condensation of two tridentate ligands by four imine N atoms and two bridging phenolate O atoms along with two Cl atoms at axial positions. The coordination geometry around the metal atoms is distorted square-pyramidal (τ = 0.185 and 0.199). The non-bonding Cu⋯Cu distances are 2.9556 (12) and 2.9506 (12) Å in the two dimers. The packing is stabilized through solvent-mediated inter-molecular O-H⋯O and O-H⋯Cl hydrogen bonds. The diamine chain of one of the dimers is disordered over two positions in a 0.680 (5):0.320 (5) ratio.

Related literature

For general background to phenol-based Schiff base metal complexes with N,N,O donors, see: Generex & Barton (2010 ▶); Fenton et al. (2010 ▶); Reisner et al. (2008 ▶). For related phenol-based Schiff base complexes, see: Gupta et al. (2002 ▶, 2007 ▶, 2008 ▶). For a description of the geometry of penta­coordinated atoms, see: Addison et al. (1984 ▶).

Experimental

Crystal data

[Cu2(C46H38N4O2)Cl2]·0.5C2H6O·2H2O

M = 935.85

Monoclinic,

a = 15.1983 (4) Å

b = 16.2680 (5) Å

c = 19.3344 (5) Å

β = 103.964 (2)°

V = 4639.1 (2) Å3

Z = 2

Mo Kα radiation

μ = 1.08 mm−1

T = 293 K

0.30 × 0.20 × 0.20 mm

Data collection

Bruker Kappa APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 1999 ▶) T min = 0.738, T max = 0.813

36333 measured reflections

6669 independent reflections

4664 reflections with I > 2σ(I)

R int = 0.054

θmax = 23.3°

Refinement

R[F 2 > 2σ(F 2)] = 0.044

wR(F 2) = 0.137

S = 1.05

6669 reflections

575 parameters

13 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.51 e Å−3

Δρmin = −0.34 e Å−3

Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT-Plus (Bruker, 2004 ▶); data reduction: SAINT-Plus and XPREP (Bruker, 2004 ▶); 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/S1600536810042248/bt5381sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810042248/bt5381Isup2.hkl

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

[Cu2(C46H38N4O2)Cl2]·0.5C2H6O·2H2O	F(000) = 1932
Mr = 935.85	Dx = 1.340 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 6395 reflections
a = 15.1983 (4) Å	θ = 2.1–22.5°
b = 16.2680 (5) Å	µ = 1.08 mm−1
c = 19.3344 (5) Å	T = 293 K
β = 103.964 (2)°	Needle, brown
V = 4639.1 (2) Å3	0.30 × 0.20 × 0.20 mm
Z = 2

Bruker Kappa APEXII CCD diffractometer	6669 independent reflections
Radiation source: fine-focus sealed tube	4664 reflections with I > 2σ(I)
graphite	Rint = 0.054
ω and φ scan	θmax = 23.3°, θmin = 2.0°
Absorption correction: multi-scan (SADABS; Bruker, 1999)	h = −16→16
Tmin = 0.738, Tmax = 0.813	k = −18→18
36333 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)] = 0.044	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.137	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ2(Fo2) + (0.0717P)2 + 3.5141P] where P = (Fo2 + 2Fc2)/3
6669 reflections	(Δ/σ)max = 0.001
575 parameters	Δρmax = 0.51 e Å−3
13 restraints	Δρmin = −0.34 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	Occ. (<1)
Cu1	1.09084 (3)	0.47211 (2)	1.039422 (19)	0.04010 (11)
Cu2	0.52512 (3)	0.47246 (3)	0.57491 (2)	0.04566 (12)
Cl1	1.17520 (9)	0.59912 (7)	1.06780 (7)	0.0984 (4)
Cl2	0.53483 (9)	0.59915 (7)	0.64348 (7)	0.0943 (4)
O1	0.97493 (14)	0.50362 (14)	1.05664 (11)	0.0473 (6)
O2	0.58164 (14)	0.50367 (15)	0.49873 (11)	0.0519 (7)
O3	0.5295 (5)	0.5394 (8)	0.7957 (6)	0.283 (7)	0.50
H4	0.5485	0.5341	0.8389	0.425*	0.50
O1W	0.5206 (3)	0.7508 (3)	0.5223 (2)	0.1308 (15)
H1W1	0.5577 (17)	0.7868 (13)	0.538 (2)	0.196*
H1W2	0.526 (3)	0.7165 (15)	0.5540 (15)	0.196*
O2W	0.6367 (7)	0.4809 (11)	0.9357 (13)	0.370 (13)	0.50
H2W1	0.6163	0.4422	0.9569	0.555*	0.50
H2W2	0.6163	0.4649	0.8861	0.555*	0.50
O3W	0.5749 (10)	0.3569 (14)	1.0049 (11)	0.443 (12)	0.50
H3W1	0.5202	0.3669	0.9609	0.665*	0.50
H3W2	0.5644	0.3602	1.0442	0.665*	0.50
N1	1.12269 (17)	0.41850 (16)	1.13139 (13)	0.0396 (7)
N2	1.16146 (18)	0.39153 (17)	1.00425 (13)	0.0458 (8)
N3	0.63697 (17)	0.41998 (16)	0.62346 (13)	0.0435 (7)
N4	0.46031 (18)	0.39075 (18)	0.61374 (15)	0.0554 (9)
C1	1.04385 (19)	0.48096 (18)	0.88252 (15)	0.0341 (8)
C2	1.1145 (2)	0.42521 (19)	0.87872 (15)	0.0369 (8)
C3	1.1337 (2)	0.4126 (2)	0.81264 (16)	0.0443 (9)
H3	1.1805	0.3768	0.8101	0.053*
C4	1.0874 (2)	0.4498 (2)	0.75130 (16)	0.0446 (9)
C5	1.0176 (2)	0.50157 (19)	0.75585 (16)	0.0392 (8)
H5	0.9847	0.5265	0.7143	0.047*
C6	0.99364 (19)	0.51866 (18)	0.81944 (15)	0.0350 (8)
C7	0.9157 (2)	0.57477 (18)	0.81663 (15)	0.0362 (8)
C8	0.8847 (2)	0.62559 (19)	0.75101 (15)	0.0400 (9)
C9	0.9455 (3)	0.6785 (2)	0.73011 (16)	0.0494 (10)
H9	1.0064	0.6783	0.7543	0.059*
C10	0.9154 (3)	0.7317 (2)	0.67306 (19)	0.0651 (12)
H10	0.9557	0.7680	0.6599	0.078*
C11	0.8266 (3)	0.7308 (2)	0.63641 (19)	0.0720 (13)
H11	0.8068	0.7667	0.5984	0.086*
C12	0.7674 (3)	0.6784 (3)	0.65477 (19)	0.0695 (13)
H12	0.7073	0.6778	0.6288	0.083*
C13	0.7953 (2)	0.6251 (2)	0.71241 (17)	0.0513 (10)
H13	0.7540	0.5893	0.7248	0.062*
C14	1.2011 (2)	0.3657 (2)	1.13193 (18)	0.0608 (11)
H14A	1.2563	0.3972	1.1486	0.073*
H14B	1.2020	0.3207	1.1650	0.073*
C15	1.1991 (3)	0.3324 (3)	1.06185 (18)	0.0741 (13)
H15A	1.1627	0.2828	1.0546	0.089*
H15B	1.2602	0.3177	1.0596	0.089*
C16	1.1640 (2)	0.3759 (2)	0.93993 (16)	0.0393 (8)
C17	1.2154 (2)	0.3023 (2)	0.92484 (16)	0.0430 (9)
C18	1.1723 (3)	0.2301 (2)	0.90520 (18)	0.0561 (10)
H18	1.1095	0.2274	0.8970	0.067*
C19	1.2206 (3)	0.1607 (3)	0.8974 (2)	0.0750 (13)
H19	1.1905	0.1112	0.8847	0.090*
C20	1.3116 (3)	0.1643 (3)	0.9080 (2)	0.0838 (14)
H20	1.3441	0.1172	0.9029	0.101*
C21	1.3553 (3)	0.2362 (3)	0.9260 (2)	0.0807 (14)
H21	1.4179	0.2387	0.9323	0.097*
C22	1.3082 (2)	0.3061 (3)	0.93507 (19)	0.0614 (11)
H22	1.3388	0.3554	0.9480	0.074*
C23	1.1097 (3)	0.4335 (3)	0.68094 (18)	0.0719 (12)
H23A	1.1262	0.3769	0.6785	0.108*
H23B	1.1593	0.4679	0.6764	0.108*
H23C	1.0576	0.4455	0.6430	0.108*
C24	0.6667 (2)	0.52384 (19)	0.50571 (15)	0.0368 (8)
C25	0.3096 (2)	0.41742 (19)	0.54154 (15)	0.0372 (8)
C26	0.2183 (2)	0.39777 (19)	0.53150 (16)	0.0412 (9)
H26	0.2023	0.3592	0.5618	0.049*
C27	0.1505 (2)	0.4319 (2)	0.47948 (16)	0.0396 (8)
C28	0.1757 (2)	0.48855 (19)	0.43462 (16)	0.0387 (8)
H28	0.1305	0.5125	0.3992	0.046*
C29	0.7350 (2)	0.48847 (18)	0.56032 (15)	0.0356 (8)
C30	0.7164 (2)	0.42868 (19)	0.61303 (15)	0.0382 (8)
C31	0.7943 (2)	0.37859 (19)	0.65308 (17)	0.0424 (9)
C32	0.8411 (2)	0.3293 (2)	0.61612 (19)	0.0515 (10)
H32	0.8268	0.3307	0.5666	0.062*
C33	0.9089 (3)	0.2780 (2)	0.6522 (2)	0.0712 (13)
H33	0.9389	0.2439	0.6268	0.085*
C34	0.9321 (3)	0.2768 (3)	0.7248 (3)	0.0818 (15)
H34	0.9781	0.2422	0.7489	0.098*
C35	0.8880 (3)	0.3265 (3)	0.7621 (2)	0.0721 (13)
H35	0.9044	0.3260	0.8117	0.087*
C36	0.8191 (2)	0.3776 (2)	0.72694 (18)	0.0533 (10)
H36	0.7893	0.4113	0.7528	0.064*
C37	0.6168 (3)	0.3678 (4)	0.6819 (3)	0.0512 (14)	0.680 (5)
H37A	0.6141	0.4017	0.7226	0.061*	0.680 (5)
H37B	0.6638	0.3269	0.6970	0.061*	0.680 (5)
C38	0.5260 (3)	0.3264 (4)	0.6524 (3)	0.0598 (17)	0.680 (5)
H38A	0.5325	0.2828	0.6198	0.072*	0.680 (5)
H38B	0.5037	0.3026	0.6909	0.072*	0.680 (5)
C37'	0.6112 (7)	0.3476 (9)	0.6580 (6)	0.0512 (14)	0.320 (5)
H37C	0.6584	0.3347	0.7001	0.061*	0.320 (5)
H37D	0.6047	0.3011	0.6257	0.061*	0.320 (5)
C38'	0.5228 (7)	0.3623 (8)	0.6789 (7)	0.0598 (17)	0.320 (5)
H38C	0.5010	0.3119	0.6958	0.072*	0.320 (5)
H38D	0.5303	0.4036	0.7161	0.072*	0.320 (5)
C39	0.3754 (2)	0.3723 (2)	0.59562 (17)	0.0444 (9)
C40	0.3429 (2)	0.2996 (2)	0.62927 (18)	0.0482 (9)
C41	0.3327 (3)	0.2247 (2)	0.5969 (2)	0.0681 (12)
H41	0.3441	0.2184	0.5520	0.082*
C42	0.3054 (3)	0.1576 (3)	0.6310 (3)	0.0912 (17)
H42	0.3008	0.1059	0.6098	0.109*
C43	0.2855 (3)	0.1676 (3)	0.6957 (3)	0.0975 (16)
H43	0.2652	0.1230	0.7176	0.117*
C44	0.2948 (3)	0.2402 (3)	0.7275 (2)	0.0872 (15)
H44	0.2820	0.2458	0.7719	0.105*
C45	0.3234 (2)	0.3077 (3)	0.6954 (2)	0.0652 (12)
H45	0.3296	0.3585	0.7181	0.078*
C46	0.0538 (2)	0.4050 (2)	0.46937 (19)	0.0549 (10)
H46A	0.0382	0.4044	0.5146	0.082*
H46B	0.0465	0.3509	0.4490	0.082*
H46C	0.0147	0.4426	0.4380	0.082*
C47	0.3985 (7)	0.4819 (7)	0.8194 (8)	0.250 (11)	0.50
H47A	0.3347	0.4744	0.7997	0.375*	0.50
H47B	0.4088	0.4974	0.8686	0.375*	0.50
H47C	0.4298	0.4314	0.8157	0.375*	0.50
C48	0.4334 (9)	0.5483 (9)	0.7789 (9)	0.292 (9)	0.50
H48A	0.4084	0.5420	0.7280	0.350*	0.50
H48B	0.4167	0.6021	0.7932	0.350*	0.50

	U11	U22	U33	U12	U13	U23
Cu1	0.0408 (2)	0.0455 (2)	0.03363 (19)	0.01844 (18)	0.00837 (16)	0.00292 (17)
Cu2	0.0359 (2)	0.0530 (2)	0.0464 (2)	−0.00232 (19)	0.00656 (18)	0.02143 (19)
Cl1	0.1143 (9)	0.0656 (7)	0.1098 (9)	−0.0300 (7)	0.0164 (8)	−0.0062 (7)
Cl2	0.1024 (9)	0.0662 (7)	0.1126 (9)	0.0039 (7)	0.0227 (8)	−0.0161 (7)
O1	0.0457 (12)	0.0634 (14)	0.0318 (11)	0.0272 (11)	0.0076 (10)	0.0027 (10)
O2	0.0329 (12)	0.0715 (15)	0.0484 (13)	−0.0072 (11)	0.0040 (10)	0.0273 (12)
O3	0.356 (14)	0.345 (15)	0.188 (9)	0.215 (12)	0.141 (10)	0.125 (9)
O1W	0.115 (3)	0.156 (3)	0.126 (3)	−0.016 (3)	0.037 (2)	0.023 (3)
O2W	0.065 (6)	0.325 (19)	0.71 (4)	0.021 (9)	0.071 (12)	0.06 (2)
O3W	0.179 (12)	0.61 (3)	0.51 (2)	0.054 (16)	0.029 (14)	−0.38 (2)
N1	0.0407 (14)	0.0414 (15)	0.0360 (13)	0.0166 (12)	0.0075 (12)	0.0054 (12)
N2	0.0478 (15)	0.0525 (16)	0.0367 (14)	0.0245 (13)	0.0094 (12)	0.0040 (12)
N3	0.0389 (14)	0.0464 (15)	0.0441 (14)	−0.0024 (13)	0.0079 (12)	0.0175 (13)
N4	0.0385 (15)	0.0663 (19)	0.0591 (17)	−0.0008 (14)	0.0074 (13)	0.0333 (15)
C1	0.0316 (15)	0.0389 (17)	0.0325 (15)	0.0062 (14)	0.0090 (13)	0.0023 (14)
C2	0.0344 (16)	0.0396 (17)	0.0377 (16)	0.0095 (14)	0.0106 (13)	−0.0003 (14)
C3	0.0442 (17)	0.0458 (19)	0.0465 (18)	0.0181 (16)	0.0179 (15)	0.0028 (15)
C4	0.0471 (18)	0.052 (2)	0.0375 (17)	0.0124 (16)	0.0164 (15)	0.0008 (15)
C5	0.0440 (18)	0.0428 (18)	0.0294 (15)	0.0084 (15)	0.0065 (14)	−0.0006 (14)
C6	0.0312 (16)	0.0340 (17)	0.0392 (16)	0.0051 (14)	0.0072 (13)	−0.0050 (14)
C7	0.0375 (16)	0.0336 (16)	0.0331 (16)	0.0081 (14)	0.0000 (14)	−0.0052 (14)
C8	0.0495 (19)	0.0389 (17)	0.0285 (15)	0.0117 (16)	0.0032 (14)	−0.0051 (14)
C9	0.066 (2)	0.0419 (19)	0.0377 (17)	0.0053 (18)	0.0082 (16)	−0.0042 (15)
C10	0.105 (3)	0.046 (2)	0.049 (2)	0.007 (2)	0.026 (2)	0.0054 (17)
C11	0.105 (3)	0.062 (2)	0.041 (2)	0.033 (2)	0.003 (2)	0.0060 (19)
C12	0.077 (3)	0.075 (3)	0.045 (2)	0.034 (2)	−0.009 (2)	−0.003 (2)
C13	0.050 (2)	0.054 (2)	0.0442 (19)	0.0151 (18)	0.0004 (16)	−0.0048 (17)
C14	0.061 (2)	0.072 (2)	0.054 (2)	0.0405 (19)	0.0219 (17)	0.0171 (18)
C15	0.094 (3)	0.085 (3)	0.045 (2)	0.059 (2)	0.0195 (19)	0.0149 (19)
C16	0.0315 (16)	0.0468 (18)	0.0407 (17)	0.0097 (15)	0.0112 (14)	0.0001 (15)
C17	0.0429 (18)	0.051 (2)	0.0375 (16)	0.0212 (16)	0.0149 (14)	0.0071 (15)
C18	0.061 (2)	0.051 (2)	0.062 (2)	0.0161 (19)	0.0267 (18)	0.0044 (18)
C19	0.105 (3)	0.054 (2)	0.071 (2)	0.023 (2)	0.031 (2)	0.005 (2)
C20	0.115 (3)	0.077 (3)	0.066 (2)	0.061 (3)	0.032 (2)	0.010 (2)
C21	0.063 (2)	0.112 (3)	0.072 (3)	0.053 (2)	0.025 (2)	0.008 (2)
C22	0.050 (2)	0.076 (3)	0.061 (2)	0.023 (2)	0.0181 (18)	0.001 (2)
C23	0.084 (3)	0.094 (3)	0.0438 (19)	0.040 (2)	0.0275 (19)	0.006 (2)
C24	0.0306 (16)	0.0436 (18)	0.0364 (16)	−0.0036 (15)	0.0082 (13)	0.0047 (14)
C25	0.0341 (16)	0.0409 (17)	0.0376 (16)	−0.0016 (15)	0.0106 (13)	0.0034 (14)
C26	0.0467 (18)	0.0422 (18)	0.0395 (16)	−0.0061 (15)	0.0196 (14)	0.0023 (14)
C27	0.0346 (16)	0.0431 (18)	0.0406 (17)	−0.0060 (15)	0.0080 (14)	−0.0016 (15)
C28	0.0357 (17)	0.0415 (18)	0.0360 (16)	−0.0005 (15)	0.0027 (14)	−0.0007 (14)
C29	0.0374 (17)	0.0324 (16)	0.0368 (16)	−0.0027 (14)	0.0085 (14)	0.0005 (13)
C30	0.0400 (17)	0.0355 (17)	0.0359 (16)	−0.0073 (15)	0.0029 (14)	0.0010 (14)
C31	0.0374 (18)	0.0356 (17)	0.0480 (19)	−0.0053 (15)	−0.0019 (15)	0.0076 (15)
C32	0.049 (2)	0.0409 (19)	0.060 (2)	−0.0059 (17)	0.0038 (17)	0.0013 (17)
C33	0.052 (2)	0.051 (2)	0.105 (3)	0.008 (2)	0.007 (2)	0.002 (2)
C34	0.058 (2)	0.067 (3)	0.102 (3)	0.009 (2)	−0.015 (2)	0.029 (3)
C35	0.066 (3)	0.077 (3)	0.058 (2)	−0.015 (2)	−0.014 (2)	0.024 (2)
C36	0.051 (2)	0.054 (2)	0.048 (2)	−0.0067 (18)	−0.0026 (17)	0.0053 (17)
C37	0.046 (2)	0.067 (3)	0.040 (3)	0.006 (2)	0.008 (2)	0.024 (2)
C38	0.042 (2)	0.061 (4)	0.076 (4)	0.008 (3)	0.014 (2)	0.035 (3)
C37'	0.046 (2)	0.067 (3)	0.040 (3)	0.006 (2)	0.008 (2)	0.024 (2)
C38'	0.042 (2)	0.061 (4)	0.076 (4)	0.008 (3)	0.014 (2)	0.035 (3)
C39	0.0420 (18)	0.0497 (19)	0.0457 (18)	−0.0010 (16)	0.0190 (15)	0.0100 (15)
C40	0.0364 (17)	0.054 (2)	0.057 (2)	0.0025 (16)	0.0180 (15)	0.0226 (17)
C41	0.066 (2)	0.058 (2)	0.085 (3)	−0.003 (2)	0.028 (2)	0.012 (2)
C42	0.071 (3)	0.055 (3)	0.149 (4)	−0.005 (2)	0.029 (3)	0.020 (3)
C43	0.075 (3)	0.086 (3)	0.140 (4)	0.004 (3)	0.044 (3)	0.064 (3)
C44	0.080 (3)	0.108 (4)	0.085 (3)	0.010 (3)	0.042 (2)	0.048 (3)
C45	0.060 (2)	0.074 (3)	0.067 (2)	0.010 (2)	0.0260 (19)	0.025 (2)
C46	0.0427 (19)	0.066 (2)	0.057 (2)	−0.0076 (18)	0.0131 (17)	0.0036 (18)
C47	0.201 (18)	0.156 (13)	0.35 (3)	0.001 (13)	−0.019 (18)	−0.134 (15)
C48	0.346 (18)	0.231 (17)	0.39 (2)	0.177 (15)	0.275 (16)	0.174 (15)

Cu1—N2	1.920 (3)	C18—H18	0.9300
Cu1—O1i	1.9258 (19)	C19—C20	1.349 (6)
Cu1—N1	1.934 (2)	C19—H19	0.9300
Cu1—O1	1.939 (2)	C20—C21	1.350 (6)
Cu1—Cl1	2.4238 (12)	C20—H20	0.9300
Cu1—Cu1i	2.9563 (7)	C21—C22	1.377 (6)
Cu2—N4	1.913 (3)	C21—H21	0.9300
Cu2—O2ii	1.922 (2)	C22—H22	0.9300
Cu2—N3	1.931 (2)	C23—H23A	0.9600
Cu2—O2	1.943 (2)	C23—H23B	0.9600
Cu2—Cl2	2.4356 (13)	C23—H23C	0.9600
Cu2—Cu2ii	2.9512 (8)	C24—C29	1.412 (4)
O1—C1i	1.300 (4)	C24—C25ii	1.427 (4)
O1—Cu1i	1.9258 (19)	C25—C26	1.391 (4)
O2—C24	1.309 (4)	C25—C24ii	1.427 (4)
O2—Cu2ii	1.922 (2)	C25—C39	1.458 (4)
O3—C48	1.425 (13)	C26—C27	1.372 (4)
O3—H4	0.8200	C26—H26	0.9300
O1W—H1W1	0.820 (17)	C27—C28	1.382 (4)
O1W—H1W2	0.818 (17)	C27—C46	1.500 (4)
O2W—H2W1	0.8494	C28—C29ii	1.388 (4)
O2W—H2W2	0.9688	C28—H28	0.9300
O3W—H3W1	1.0487	C29—C28ii	1.388 (4)
O3W—H3W2	0.8157	C29—C30	1.485 (4)
N1—C7i	1.282 (4)	C30—C31	1.491 (4)
N1—C14	1.467 (4)	C31—C32	1.380 (5)
N2—C16	1.279 (4)	C31—C36	1.386 (5)
N2—C15	1.478 (4)	C32—C33	1.378 (5)
N3—C30	1.279 (4)	C32—H32	0.9300
N3—C37'	1.453 (13)	C33—C34	1.363 (6)
N3—C37	1.502 (6)	C33—H33	0.9300
N4—C39	1.289 (4)	C34—C35	1.363 (6)
N4—C38'	1.458 (12)	C34—H34	0.9300
N4—C38	1.514 (6)	C35—C36	1.380 (5)
C1—O1i	1.300 (4)	C35—H35	0.9300
C1—C6	1.413 (4)	C36—H36	0.9300
C1—C2	1.421 (4)	C37—C38	1.517 (7)
C2—C3	1.393 (4)	C37—H37A	0.9700
C2—C16	1.476 (4)	C37—H37B	0.9700
C3—C4	1.366 (4)	C38—H38A	0.9700
C3—H3	0.9300	C38—H38B	0.9700
C4—C5	1.374 (5)	C37'—C38'	1.512 (13)
C4—C23	1.502 (5)	C37'—H37C	0.9700
C5—C6	1.392 (4)	C37'—H37D	0.9700
C5—H5	0.9300	C38'—H38C	0.9700
C6—C7	1.486 (4)	C38'—H38D	0.9700
C7—N1i	1.282 (4)	C39—C40	1.490 (5)
C7—C8	1.492 (4)	C40—C41	1.363 (5)
C8—C13	1.384 (4)	C40—C45	1.386 (5)
C8—C9	1.392 (5)	C41—C42	1.389 (6)
C9—C10	1.390 (5)	C41—H41	0.9300
C9—H9	0.9300	C42—C43	1.366 (7)
C10—C11	1.363 (6)	C42—H42	0.9300
C10—H10	0.9300	C43—C44	1.323 (7)
C11—C12	1.348 (6)	C43—H43	0.9300
C11—H11	0.9300	C44—C45	1.382 (6)
C12—C13	1.395 (5)	C44—H44	0.9300
C12—H12	0.9300	C45—H45	0.9300
C13—H13	0.9300	C46—H46A	0.9600
C14—C15	1.452 (5)	C46—H46B	0.9600
C14—H14A	0.9700	C46—H46C	0.9600
C14—H14B	0.9700	C47—C48	1.505 (10)
C15—H15A	0.9700	C47—H47A	0.9600
C15—H15B	0.9700	C47—H47B	0.9600
C16—C17	1.496 (4)	C47—H47C	0.9600
C17—C18	1.354 (5)	C48—H48A	0.9700
C17—C22	1.378 (5)	C48—H48B	0.9700
C18—C19	1.374 (5)
N2—Cu1—O1i	90.16 (10)	C18—C19—H19	119.9
N2—Cu1—N1	88.88 (11)	C19—C20—C21	119.9 (4)
O1i—Cu1—N1	159.32 (11)	C19—C20—H20	120.0
N2—Cu1—O1	148.23 (11)	C21—C20—H20	120.0
O1i—Cu1—O1	80.20 (10)	C20—C21—C22	120.7 (4)
N1—Cu1—O1	89.86 (10)	C20—C21—H21	119.7
N2—Cu1—Cl1	110.60 (9)	C22—C21—H21	119.7
O1i—Cu1—Cl1	99.59 (8)	C21—C22—C17	119.4 (4)
N1—Cu1—Cl1	100.07 (8)	C21—C22—H22	120.3
O1—Cu1—Cl1	100.87 (8)	C17—C22—H22	120.3
N2—Cu1—Cu1i	124.02 (7)	C4—C23—H23A	109.5
O1i—Cu1—Cu1i	40.26 (7)	C4—C23—H23B	109.5
N1—Cu1—Cu1i	127.43 (8)	H23A—C23—H23B	109.5
O1—Cu1—Cu1i	39.93 (6)	C4—C23—H23C	109.5
Cl1—Cu1—Cu1i	103.43 (4)	H23A—C23—H23C	109.5
N4—Cu2—O2ii	90.49 (10)	H23B—C23—H23C	109.5
N4—Cu2—N3	88.75 (11)	O2—C24—C29	120.3 (3)
O2ii—Cu2—N3	159.37 (11)	O2—C24—C25ii	119.8 (3)
N4—Cu2—O2	147.45 (12)	C29—C24—C25ii	119.9 (3)
O2ii—Cu2—O2	80.47 (10)	C26—C25—C24ii	117.5 (3)
N3—Cu2—O2	89.18 (10)	C26—C25—C39	118.2 (3)
N4—Cu2—Cl2	110.11 (10)	C24ii—C25—C39	124.2 (3)
O2ii—Cu2—Cl2	99.31 (8)	C27—C26—C25	123.9 (3)
N3—Cu2—Cl2	100.31 (9)	C27—C26—H26	118.1
O2—Cu2—Cl2	102.22 (8)	C25—C26—H26	118.1
N4—Cu2—Cu2ii	124.09 (8)	C26—C27—C28	117.2 (3)
O2ii—Cu2—Cu2ii	40.49 (7)	C26—C27—C46	121.1 (3)
N3—Cu2—Cu2ii	126.88 (8)	C28—C27—C46	121.6 (3)
O2—Cu2—Cu2ii	39.97 (6)	C27—C28—C29ii	123.4 (3)
Cl2—Cu2—Cu2ii	104.16 (4)	C27—C28—H28	118.3
C1i—O1—Cu1i	131.06 (19)	C29ii—C28—H28	118.3
C1i—O1—Cu1	127.82 (18)	C28ii—C29—C24	118.2 (3)
Cu1i—O1—Cu1	99.80 (10)	C28ii—C29—C30	118.2 (3)
C24—O2—Cu2ii	131.45 (19)	C24—C29—C30	123.6 (3)
C24—O2—Cu2	126.42 (19)	N3—C30—C29	121.6 (3)
Cu2ii—O2—Cu2	99.54 (10)	N3—C30—C31	121.3 (3)
C48—O3—H4	109.5	C29—C30—C31	117.1 (3)
H1W1—O1W—H1W2	105 (3)	C32—C31—C36	118.7 (3)
H2W1—O2W—H2W2	102.3	C32—C31—C30	119.5 (3)
H3W1—O3W—H3W2	116.8	C36—C31—C30	121.7 (3)
C7i—N1—C14	124.5 (3)	C33—C32—C31	120.4 (4)
C7i—N1—Cu1	128.4 (2)	C33—C32—H32	119.8
C14—N1—Cu1	107.0 (2)	C31—C32—H32	119.8
C16—N2—C15	120.4 (3)	C34—C33—C32	120.4 (4)
C16—N2—Cu1	129.1 (2)	C34—C33—H33	119.8
C15—N2—Cu1	109.0 (2)	C32—C33—H33	119.8
C30—N3—C37'	122.1 (5)	C35—C34—C33	119.9 (4)
C30—N3—C37	123.6 (3)	C35—C34—H34	120.0
C30—N3—Cu2	128.9 (2)	C33—C34—H34	120.0
C37'—N3—Cu2	106.2 (4)	C34—C35—C36	120.5 (4)
C37—N3—Cu2	107.4 (2)	C34—C35—H35	119.7
C39—N4—C38'	124.2 (5)	C36—C35—H35	119.7
C39—N4—C38	118.2 (3)	C35—C36—C31	120.0 (4)
C39—N4—Cu2	129.2 (2)	C35—C36—H36	120.0
C38'—N4—Cu2	105.7 (5)	C31—C36—H36	120.0
C38—N4—Cu2	109.5 (3)	N3—C37—C38	107.5 (4)
O1i—C1—C6	120.4 (3)	N3—C37—H37A	110.2
O1i—C1—C2	120.2 (2)	C38—C37—H37A	110.2
C6—C1—C2	119.3 (3)	N3—C37—H37B	110.2
C3—C2—C1	118.0 (3)	C38—C37—H37B	110.2
C3—C2—C16	118.4 (3)	H37A—C37—H37B	108.5
C1—C2—C16	123.4 (3)	N4—C38—C37	108.1 (4)
C4—C3—C2	123.6 (3)	N4—C38—H38A	110.1
C4—C3—H3	118.2	C37—C38—H38A	110.1
C2—C3—H3	118.2	N4—C38—H38B	110.1
C3—C4—C5	117.4 (3)	C37—C38—H38B	110.1
C3—C4—C23	121.8 (3)	H38A—C38—H38B	108.4
C5—C4—C23	120.8 (3)	N3—C37'—C38'	110.5 (10)
C4—C5—C6	123.4 (3)	N3—C37'—H37C	109.6
C4—C5—H5	118.3	C38'—C37'—H37C	109.6
C6—C5—H5	118.3	N3—C37'—H37D	109.6
C5—C6—C1	118.3 (3)	C38'—C37'—H37D	109.6
C5—C6—C7	117.8 (3)	H37C—C37'—H37D	108.1
C1—C6—C7	123.9 (3)	N4—C38'—C37'	104.8 (9)
N1i—C7—C6	122.2 (3)	N4—C38'—H38C	110.8
N1i—C7—C8	120.6 (3)	C37'—C38'—H38C	110.8
C6—C7—C8	117.1 (3)	N4—C38'—H38D	110.8
C13—C8—C9	118.8 (3)	C37'—C38'—H38D	110.8
C13—C8—C7	121.5 (3)	H38C—C38'—H38D	108.9
C9—C8—C7	119.6 (3)	N4—C39—C25	123.1 (3)
C10—C9—C8	120.0 (3)	N4—C39—C40	118.8 (3)
C10—C9—H9	120.0	C25—C39—C40	118.1 (3)
C8—C9—H9	120.0	C41—C40—C45	118.9 (3)
C11—C10—C9	120.1 (4)	C41—C40—C39	121.5 (3)
C11—C10—H10	120.0	C45—C40—C39	119.6 (3)
C9—C10—H10	120.0	C40—C41—C42	119.9 (4)
C12—C11—C10	120.6 (4)	C40—C41—H41	120.0
C12—C11—H11	119.7	C42—C41—H41	120.0
C10—C11—H11	119.7	C43—C42—C41	119.8 (5)
C11—C12—C13	120.7 (4)	C43—C42—H42	120.1
C11—C12—H12	119.7	C41—C42—H42	120.1
C13—C12—H12	119.7	C44—C43—C42	120.7 (4)
C8—C13—C12	119.8 (4)	C44—C43—H43	119.6
C8—C13—H13	120.1	C42—C43—H43	119.6
C12—C13—H13	120.1	C43—C44—C45	120.7 (5)
C15—C14—N1	112.2 (3)	C43—C44—H44	119.7
C15—C14—H14A	109.2	C45—C44—H44	119.7
N1—C14—H14A	109.2	C44—C45—C40	119.9 (4)
C15—C14—H14B	109.2	C44—C45—H45	120.0
N1—C14—H14B	109.2	C40—C45—H45	120.0
H14A—C14—H14B	107.9	C27—C46—H46A	109.5
C14—C15—N2	112.2 (3)	C27—C46—H46B	109.5
C14—C15—H15A	109.2	H46A—C46—H46B	109.5
N2—C15—H15A	109.2	C27—C46—H46C	109.5
C14—C15—H15B	109.2	H46A—C46—H46C	109.5
N2—C15—H15B	109.2	H46B—C46—H46C	109.5
H15A—C15—H15B	107.9	C48—C47—H47A	109.5
N2—C16—C2	122.8 (3)	C48—C47—H47B	109.5
N2—C16—C17	119.2 (3)	H47A—C47—H47B	109.5
C2—C16—C17	117.9 (3)	C48—C47—H47C	109.5
C18—C17—C22	119.2 (3)	H47A—C47—H47C	109.5
C18—C17—C16	120.6 (3)	H47B—C47—H47C	109.5
C22—C17—C16	120.0 (3)	O3—C48—C47	106.2 (9)
C17—C18—C19	120.5 (4)	O3—C48—H48A	110.5
C17—C18—H18	119.7	C47—C48—H48A	110.5
C19—C18—H18	119.7	O3—C48—H48B	110.5
C20—C19—C18	120.3 (4)	C47—C48—H48B	110.5
C20—C19—H19	119.9	H48A—C48—H48B	108.7
N2—Cu1—O1—C1i	117.9 (3)	C11—C12—C13—C8	−0.3 (6)
O1i—Cu1—O1—C1i	−168.0 (3)	C7i—N1—C14—C15	146.7 (3)
N1—Cu1—O1—C1i	30.2 (3)	Cu1—N1—C14—C15	−32.8 (4)
Cl1—Cu1—O1—C1i	−70.0 (3)	N1—C14—C15—N2	35.9 (5)
Cu1i—Cu1—O1—C1i	−168.0 (3)	C16—N2—C15—C14	172.2 (3)
N2—Cu1—O1—Cu1i	−74.1 (2)	Cu1—N2—C15—C14	−20.5 (4)
O1i—Cu1—O1—Cu1i	0.0	C15—N2—C16—C2	169.5 (3)
N1—Cu1—O1—Cu1i	−161.78 (11)	Cu1—N2—C16—C2	5.0 (5)
Cl1—Cu1—O1—Cu1i	97.99 (9)	C15—N2—C16—C17	−7.4 (5)
N4—Cu2—O2—C24	−121.0 (3)	Cu1—N2—C16—C17	−171.8 (2)
O2ii—Cu2—O2—C24	163.3 (3)	C3—C2—C16—N2	169.0 (3)
N3—Cu2—O2—C24	−34.6 (3)	C1—C2—C16—N2	−15.4 (5)
Cl2—Cu2—O2—C24	65.8 (3)	C3—C2—C16—C17	−14.1 (4)
Cu2ii—Cu2—O2—C24	163.3 (3)	C1—C2—C16—C17	161.5 (3)
N4—Cu2—O2—Cu2ii	75.7 (2)	N2—C16—C17—C18	95.3 (4)
O2ii—Cu2—O2—Cu2ii	0.0	C2—C16—C17—C18	−81.7 (4)
N3—Cu2—O2—Cu2ii	162.08 (12)	N2—C16—C17—C22	−80.7 (4)
Cl2—Cu2—O2—Cu2ii	−97.55 (9)	C2—C16—C17—C22	102.3 (4)
N2—Cu1—N1—C7i	−162.5 (3)	C22—C17—C18—C19	1.7 (5)
O1i—Cu1—N1—C7i	−75.0 (4)	C16—C17—C18—C19	−174.4 (3)
O1—Cu1—N1—C7i	−14.2 (3)	C17—C18—C19—C20	−1.2 (6)
Cl1—Cu1—N1—C7i	86.8 (3)	C18—C19—C20—C21	−0.4 (6)
Cu1i—Cu1—N1—C7i	−28.9 (3)	C19—C20—C21—C22	1.3 (7)
N2—Cu1—N1—C14	17.0 (2)	C20—C21—C22—C17	−0.7 (6)
O1i—Cu1—N1—C14	104.5 (3)	C18—C17—C22—C21	−0.8 (5)
O1—Cu1—N1—C14	165.2 (2)	C16—C17—C22—C21	175.3 (3)
Cl1—Cu1—N1—C14	−93.8 (2)	Cu2ii—O2—C24—C29	−170.8 (2)
Cu1i—Cu1—N1—C14	150.57 (19)	Cu2—O2—C24—C29	31.4 (4)
O1i—Cu1—N2—C16	8.0 (3)	Cu2ii—O2—C24—C25ii	10.0 (5)
N1—Cu1—N2—C16	167.4 (3)	Cu2—O2—C24—C25ii	−147.8 (2)
O1—Cu1—N2—C16	79.5 (4)	C24ii—C25—C26—C27	−0.5 (5)
Cl1—Cu1—N2—C16	−92.3 (3)	C39—C25—C26—C27	−175.7 (3)
Cu1i—Cu1—N2—C16	31.3 (3)	C25—C26—C27—C28	0.5 (5)
O1i—Cu1—N2—C15	−157.8 (2)	C25—C26—C27—C46	177.1 (3)
N1—Cu1—N2—C15	1.5 (2)	C26—C27—C28—C29ii	0.3 (5)
O1—Cu1—N2—C15	−86.4 (3)	C46—C27—C28—C29ii	−176.2 (3)
Cl1—Cu1—N2—C15	101.9 (2)	O2—C24—C29—C28ii	179.7 (3)
Cu1i—Cu1—N2—C15	−134.6 (2)	C25ii—C24—C29—C28ii	−1.1 (5)
N4—Cu2—N3—C30	164.0 (3)	O2—C24—C29—C30	−0.9 (5)
O2ii—Cu2—N3—C30	75.9 (4)	C25ii—C24—C29—C30	178.3 (3)
O2—Cu2—N3—C30	16.4 (3)	C37'—N3—C30—C29	161.7 (6)
Cl2—Cu2—N3—C30	−85.8 (3)	C37—N3—C30—C29	−172.6 (3)
Cu2ii—Cu2—N3—C30	30.8 (3)	Cu2—N3—C30—C29	3.5 (4)
N4—Cu2—N3—C37'	3.1 (6)	C37'—N3—C30—C31	−17.9 (7)
O2ii—Cu2—N3—C37'	−85.0 (6)	C37—N3—C30—C31	7.9 (5)
O2—Cu2—N3—C37'	−144.4 (6)	Cu2—N3—C30—C31	−176.1 (2)
Cl2—Cu2—N3—C37'	113.3 (6)	C28ii—C29—C30—N3	162.3 (3)
Cu2ii—Cu2—N3—C37'	−130.1 (6)	C24—C29—C30—N3	−17.1 (5)
N4—Cu2—N3—C37	−19.5 (3)	C28ii—C29—C30—C31	−18.1 (4)
O2ii—Cu2—N3—C37	−107.6 (4)	C24—C29—C30—C31	162.5 (3)
O2—Cu2—N3—C37	−167.0 (3)	N3—C30—C31—C32	121.2 (4)
Cl2—Cu2—N3—C37	90.7 (3)	C29—C30—C31—C32	−58.4 (4)
Cu2ii—Cu2—N3—C37	−152.7 (2)	N3—C30—C31—C36	−56.2 (4)
O2ii—Cu2—N4—C39	−6.0 (3)	C29—C30—C31—C36	124.2 (3)
N3—Cu2—N4—C39	−165.3 (3)	C36—C31—C32—C33	2.3 (5)
O2—Cu2—N4—C39	−78.8 (4)	C30—C31—C32—C33	−175.2 (3)
Cl2—Cu2—N4—C39	94.1 (3)	C31—C32—C33—C34	−1.7 (6)
Cu2ii—Cu2—N4—C39	−30.1 (4)	C32—C33—C34—C35	0.2 (6)
O2ii—Cu2—N4—C38'	−175.0 (6)	C33—C34—C35—C36	0.7 (6)
N3—Cu2—N4—C38'	25.6 (6)	C34—C35—C36—C31	0.0 (6)
O2—Cu2—N4—C38'	112.1 (6)	C32—C31—C36—C35	−1.5 (5)
Cl2—Cu2—N4—C38'	−74.9 (6)	C30—C31—C36—C35	176.0 (3)
Cu2ii—Cu2—N4—C38'	160.9 (6)	C30—N3—C37—C38	−142.6 (4)
O2ii—Cu2—N4—C38	153.1 (3)	C37'—N3—C37—C38	−49.3 (12)
N3—Cu2—N4—C38	−6.2 (3)	Cu2—N3—C37—C38	40.7 (5)
O2—Cu2—N4—C38	80.3 (3)	C39—N4—C38—C37	−167.8 (4)
Cl2—Cu2—N4—C38	−106.8 (3)	C38'—N4—C38—C37	−57.4 (10)
Cu2ii—Cu2—N4—C38	129.0 (3)	Cu2—N4—C38—C37	30.5 (5)
O1i—C1—C2—C3	−178.2 (3)	N3—C37—C38—N4	−46.5 (6)
C6—C1—C2—C3	2.5 (4)	C30—N3—C37'—C38'	166.6 (7)
O1i—C1—C2—C16	6.2 (5)	C37—N3—C37'—C38'	65.7 (14)
C6—C1—C2—C16	−173.1 (3)	Cu2—N3—C37'—C38'	−30.9 (10)
C1—C2—C3—C4	−1.0 (5)	C39—N4—C38'—C37'	143.6 (8)
C16—C2—C3—C4	174.8 (3)	C38—N4—C38'—C37'	55.2 (10)
C2—C3—C4—C5	−0.9 (5)	Cu2—N4—C38'—C37'	−46.7 (10)
C2—C3—C4—C23	−179.2 (3)	N3—C37'—C38'—N4	52.5 (12)
C3—C4—C5—C6	1.3 (5)	C38'—N4—C39—C25	163.2 (7)
C23—C4—C5—C6	179.7 (3)	C38—N4—C39—C25	−161.6 (4)
C4—C5—C6—C1	0.2 (5)	Cu2—N4—C39—C25	−4.0 (5)
C4—C5—C6—C7	−179.0 (3)	C38'—N4—C39—C40	−19.2 (8)
O1i—C1—C6—C5	178.6 (3)	C38—N4—C39—C40	16.0 (5)
C2—C1—C6—C5	−2.1 (4)	Cu2—N4—C39—C40	173.6 (2)
O1i—C1—C6—C7	−2.3 (5)	C26—C25—C39—N4	−173.4 (3)
C2—C1—C6—C7	177.0 (3)	C24ii—C25—C39—N4	11.7 (5)
C5—C6—C7—N1i	165.9 (3)	C26—C25—C39—C40	9.0 (5)
C1—C6—C7—N1i	−13.2 (5)	C24ii—C25—C39—C40	−165.9 (3)
C5—C6—C7—C8	−15.8 (4)	N4—C39—C40—C41	−95.9 (4)
C1—C6—C7—C8	165.1 (3)	C25—C39—C40—C41	81.8 (4)
N1i—C7—C8—C13	−55.5 (4)	N4—C39—C40—C45	83.3 (4)
C6—C7—C8—C13	126.2 (3)	C25—C39—C40—C45	−99.0 (4)
N1i—C7—C8—C9	120.7 (3)	C45—C40—C41—C42	−1.5 (5)
C6—C7—C8—C9	−57.6 (4)	C39—C40—C41—C42	177.6 (3)
C13—C8—C9—C10	2.4 (5)	C40—C41—C42—C43	2.5 (6)
C7—C8—C9—C10	−173.9 (3)	C41—C42—C43—C44	−2.3 (7)
C8—C9—C10—C11	−1.6 (5)	C42—C43—C44—C45	1.2 (7)
C9—C10—C11—C12	−0.2 (6)	C43—C44—C45—C40	−0.2 (6)
C10—C11—C12—C13	1.1 (6)	C41—C40—C45—C44	0.4 (5)
C9—C8—C13—C12	−1.5 (5)	C39—C40—C45—C44	−178.8 (3)
C7—C8—C13—C12	174.7 (3)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H4···O2W	0.82	2.20	2.96 (2)	154
O1W—H1W1···Cl1iii	0.82 (2)	2.54 (2)	3.355 (4)	171 (4)
O1W—H1W2···Cl2	0.82 (2)	2.56 (2)	3.374 (4)	174 (3)
O2W—H2W1···O3W	0.85	1.86	2.71 (3)	179
O2W—H2W2···O3	0.97	2.27	2.96 (2)	127

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H4⋯O2W	0.82	2.20	2.96 (2)	154
O1W—H1W1⋯Cl1i	0.82 (2)	2.54 (2)	3.355 (4)	171 (4)
O1W—H1W2⋯Cl2	0.82 (2)	2.56 (2)	3.374 (4)	174 (3)
O2W—H2W1⋯O3W	0.85	1.86	2.71 (3)	179
O2W—H2W2⋯O3	0.97	2.27	2.96 (2)	127

Symmetry code: (i) .