catena-Poly­[[tetrakis­[[mu]-(3-methoxy­phenyl)­acetato-O:O']­dicopper(II)]-[mu]-2-aminopyrimidine-N¹:N³]

The structure of the title compound, [Cu₂(C₉H₉O₃)₄(C₄H₅N₃)], comprises a zigzag polymer of alternating tetrakis­(carboxyl­ato-O:O')­dicopper(II) and 2-amino­pyrimidine units linked by axial Cu-N bonds, and the non-centrosymmetric structure has four unique (3-methoxy­phenyl)­acetate moieties.

S1. Comment

In the structure of the title compound, (I), one of the methoxy groups (O9) is disordered with two methyl groups (C36 and C37) of equal occupancy. Hydrogen-bonding associations are recorded from the pyrimidine 2-amino group (N3) to the carboxylate O3ⁱ [N···O 2.868 (7) Å and angle at H 153.8°; symmetry code: (i) 3/2 − x, y − 1/2, 1/2 + z] and O5 atoms [N···O 2.964 (7) Å and angle at H 156.6°].

S2. Experimental

Complex (I) was prepared according to the literature procedure of Smith et al. (1996).

Computing details

Data collection: DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998); cell refinement: DENZO and COLLECT; data reduction: DENZO and COLLECT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997b); software used to prepare material for publication: SHELXL97.

catena-Poly[[tetrakis[µ-(3-methoxyphenyl)acetato-O:O']dicopper(II)]- µ-2-aminopyrimidine-N¹:N³]

Crystal data

[Cu2(C9H9O3)4(C4H5N3)]	Dx = 1.518 Mg m^−3
Mr = 882.84	Melting point: 437.5-438.5 K K
Orthorhombic, Pna21	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2n	Cell parameters from 8113 reflections
a = 27.981 (6) Å	θ = 2.9–27.5°
b = 15.523 (3) Å	µ = 1.16 mm^−1
c = 8.9366 (18) Å	T = 150 K
V = 3881.7 (13) Å^3	Plate, green
Z = 4	0.1 × 0.1 × 0.01 mm
F(000) = 1840

Data collection

Enraf Nonius KappaCCD area-detector diffractometer	7250 independent reflections
Radiation source: Enraf Nonius FR591 rotating anode	4441 reflections with I > 4σ(I)
Graphite monochromator	Rint = 0.106
Detector resolution: 9.091 pixels mm^-1	θmax = 27.5°, θmin = 3.0°
ϕ and ω scans	h = −32→32
Absorption correction: multi-scan (SORTAV; Blessing, 1995)	k = −20→20
Tmin = 0.879, Tmax = 0.989	l = −7→11
36035 measured reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.049	H-atom parameters constrained
wR(F^2) = 0.096	w = 1/[σ^2(Fo^2) + (0.046P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.89	(Δ/σ)max = 0.008
7250 reflections	Δρmax = 0.34 e Å^−3
528 parameters	Δρmin = −0.38 e Å^−3
1 restraint	Absolute structure: Flack (1983), 3447 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.002 (12)

Special details

Experimental. PLEASE NOTE cell_measurement_ fields are not relevant to area detector data, the entire data set is used to refine the cell, which is indexed from all observed reflections in a 10 degree phi range.

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.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cu1	0.758143 (19)	0.02168 (4)	0.54823 (7)	0.02814 (17)
Cu2	0.73440 (2)	0.16328 (4)	0.39826 (6)	0.02767 (16)
O1	0.74001 (12)	0.0881 (2)	0.2210 (3)	0.0329 (9)
O2	0.75158 (10)	−0.0329 (2)	0.3515 (4)	0.0309 (9)
O3	0.80253 (11)	0.19232 (19)	0.3859 (4)	0.0318 (8)
O4	0.82089 (11)	0.0681 (2)	0.4941 (3)	0.0345 (9)
O5	0.68963 (11)	−0.0004 (2)	0.5774 (4)	0.0341 (9)
O6	0.67146 (11)	0.1132 (2)	0.4341 (4)	0.0347 (9)
O7	0.58301 (14)	−0.1482 (3)	0.3181 (5)	0.0604 (12)
O8	0.89844 (14)	0.1356 (3)	0.9899 (4)	0.0604 (12)
O9	0.49103 (15)	0.1448 (2)	0.1904 (4)	0.0564 (11)
O10	0.75538 (13)	0.0966 (2)	0.7266 (4)	0.0378 (10)
O11	0.59017 (14)	0.4063 (3)	0.7850 (6)	0.0697 (13)
O12	0.73159 (12)	0.2140 (2)	0.6010 (3)	0.0377 (9)
N1	0.79279 (15)	−0.0841 (2)	0.6698 (4)	0.0252 (10)
N2	0.70535 (14)	0.2812 (2)	0.2980 (5)	0.0274 (10)
N3	0.72499 (14)	−0.1668 (3)	0.6970 (5)	0.0355 (12)
H1	0.7108	−0.2122	0.7294	0.044*
H2	0.7092	−0.1284	0.6483	0.044*
C1	0.74295 (18)	0.0069 (4)	0.2323 (6)	0.0299 (14)
C2	0.73150 (18)	−0.0458 (3)	0.0946 (5)	0.0370 (14)
H2A	0.7415	−0.0143	0.0061	0.046*
H2B	0.7493	−0.0994	0.0979	0.046*
C3	0.67875 (18)	−0.0653 (3)	0.0834 (6)	0.0319 (13)
C4	0.6531 (2)	−0.0988 (3)	0.2032 (6)	0.0367 (14)
H4	0.6685	−0.1091	0.2937	0.046*
C5	0.6052 (2)	−0.1169 (3)	0.1893 (7)	0.0421 (14)
C6	0.5817 (2)	−0.1044 (4)	0.0576 (8)	0.0594 (16)
H6	0.5493	−0.1173	0.0480	0.074*
C7	0.6071 (3)	−0.0726 (4)	−0.0585 (8)	0.072 (2)
H7	0.5916	−0.0647	−0.1496	0.090*
C8	0.6548 (2)	−0.0513 (4)	−0.0483 (6)	0.0503 (16)
H8	0.6706	−0.0276	−0.1301	0.063*
C9	0.5342 (2)	−0.1751 (5)	0.3021 (8)	0.088 (2)
H91	0.5139	−0.1253	0.2972	0.110*
H92	0.5253	−0.2098	0.3864	0.110*
H93	0.5309	−0.2081	0.2119	0.110*
C10	0.83208 (18)	0.1407 (3)	0.4405 (5)	0.0292 (13)
C11	0.88422 (17)	0.1641 (3)	0.4432 (6)	0.0349 (14)
H111	0.8995	0.1414	0.3540	0.044*
H112	0.8873	0.2263	0.4412	0.044*
C12	0.90948 (17)	0.1297 (3)	0.5786 (7)	0.0373 (13)
C13	0.89185 (18)	0.1499 (4)	0.7199 (7)	0.0395 (14)
H13	0.8649	0.1847	0.7289	0.049*
C14	0.9140 (2)	0.1186 (4)	0.8470 (7)	0.0472 (15)
C15	0.9544 (2)	0.0683 (4)	0.8351 (7)	0.0545 (17)
H15	0.9700	0.0489	0.9206	0.068*
C16	0.9712 (2)	0.0472 (4)	0.6974 (8)	0.0603 (18)
H16	0.9979	0.0119	0.6895	0.075*
C17	0.94922 (18)	0.0770 (3)	0.5681 (8)	0.0507 (15)
H17	0.9612	0.0616	0.4748	0.063*
C18	0.8522 (2)	0.1737 (5)	1.0041 (7)	0.076 (2)
H181	0.8527	0.2307	0.9626	0.095*
H182	0.8436	0.1766	1.1079	0.095*
H183	0.8292	0.1393	0.9512	0.095*
C19	0.74016 (17)	0.1720 (4)	0.7194 (6)	0.0274 (14)
C20	0.73066 (18)	0.2194 (3)	0.8666 (6)	0.0394 (14)
H201	0.7413	0.1837	0.9492	0.049*
H202	0.7492	0.2721	0.8684	0.049*
C21	0.67843 (18)	0.2411 (3)	0.8882 (6)	0.0343 (12)
C22	0.65919 (19)	0.3144 (3)	0.8239 (6)	0.0367 (14)
H22	0.6784	0.3499	0.7654	0.046*
C23	0.6114 (2)	0.3355 (4)	0.8461 (6)	0.0467 (16)
C24	0.5831 (2)	0.2810 (5)	0.9299 (8)	0.068 (2)
H24	0.5510	0.2941	0.9435	0.085*
C25	0.6013 (3)	0.2094 (5)	0.9923 (7)	0.072 (2)
H25	0.5815	0.1738	1.0489	0.090*
C26	0.6491 (2)	0.1876 (4)	0.9736 (6)	0.0545 (17)
H26	0.6614	0.1380	1.0175	0.068*
C27	0.6189 (3)	0.4585 (4)	0.6899 (9)	0.079 (2)
H271	0.6453	0.4813	0.7458	0.098*
H272	0.6000	0.5052	0.6514	0.098*
H273	0.6307	0.4244	0.6083	0.098*
C28	0.66058 (17)	0.0509 (3)	0.5164 (6)	0.0291 (13)
C29	0.60784 (15)	0.0344 (3)	0.5455 (7)	0.0433 (14)
H291	0.5988	−0.0191	0.4972	0.054*
H292	0.6031	0.0272	0.6523	0.054*
C30	0.57533 (18)	0.1047 (3)	0.4910 (6)	0.0362 (14)
C31	0.54854 (18)	0.0937 (3)	0.3645 (6)	0.0366 (14)
H31	0.5502	0.0423	0.3114	0.046*
C32	0.5188 (2)	0.1594 (4)	0.3155 (6)	0.0427 (15)
C33	0.51663 (18)	0.2365 (3)	0.3879 (7)	0.0398 (13)
H33	0.4973	0.2806	0.3519	0.050*
C34	0.54349 (18)	0.2481 (3)	0.5151 (6)	0.0399 (14)
H34	0.5421	0.3001	0.5667	0.050*
C35	0.57274 (17)	0.1821 (3)	0.5665 (6)	0.0382 (13)
H35	0.5908	0.1901	0.6528	0.048*
C36	0.4981 (4)	0.0655 (8)	0.1160 (13)	0.069 (4)	0.50
H361	0.5294	0.0645	0.0721	0.087*	0.50
H362	0.4745	0.0589	0.0389	0.087*	0.50
H363	0.4952	0.0191	0.1864	0.087*	0.50
C37	0.4490 (4)	0.2039 (8)	0.1610 (12)	0.059 (4)	0.50
H371	0.4304	0.2098	0.2507	0.074*	0.50
H372	0.4294	0.1798	0.0833	0.074*	0.50
H373	0.4604	0.2594	0.1303	0.074*	0.50
C38	0.77143 (17)	−0.1559 (3)	0.7220 (6)	0.0246 (12)
C39	0.65918 (19)	0.2928 (3)	0.3218 (6)	0.0391 (14)
H39	0.6424	0.2503	0.3733	0.049*
C40	0.63468 (19)	0.3646 (3)	0.2744 (6)	0.0450 (16)
H40	0.6023	0.3720	0.2939	0.056*
C41	0.83960 (19)	−0.0760 (3)	0.6973 (6)	0.0326 (13)
H41	0.8553	−0.0272	0.6620	0.041*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.0333 (3)	0.0212 (3)	0.0299 (4)	0.0005 (3)	−0.0008 (4)	0.0070 (3)
Cu2	0.0304 (4)	0.0223 (3)	0.0303 (4)	0.0012 (3)	0.0028 (3)	0.0073 (3)
O1	0.044 (2)	0.024 (2)	0.031 (2)	0.0009 (18)	−0.0012 (16)	0.0059 (16)
O2	0.037 (2)	0.023 (2)	0.033 (2)	0.0018 (15)	−0.0004 (16)	−0.0003 (16)
O3	0.031 (2)	0.0238 (18)	0.041 (2)	0.0047 (16)	−0.0018 (19)	0.0106 (18)
O4	0.030 (2)	0.029 (2)	0.045 (2)	−0.0013 (17)	−0.0001 (16)	0.0170 (17)
O5	0.035 (2)	0.0271 (19)	0.040 (2)	0.0057 (16)	−0.0002 (17)	0.0204 (18)
O6	0.028 (2)	0.027 (2)	0.049 (2)	−0.0021 (16)	0.0046 (17)	0.0180 (18)
O7	0.054 (3)	0.079 (3)	0.049 (3)	−0.032 (2)	0.008 (2)	−0.010 (2)
O8	0.051 (3)	0.088 (3)	0.043 (3)	0.021 (2)	−0.009 (2)	0.000 (2)
O9	0.071 (3)	0.053 (3)	0.045 (3)	0.017 (2)	−0.014 (2)	−0.011 (2)
O10	0.058 (3)	0.022 (2)	0.034 (3)	0.0088 (19)	−0.0031 (17)	−0.0007 (17)
O11	0.040 (3)	0.061 (3)	0.109 (4)	0.018 (3)	−0.017 (3)	−0.030 (3)
O12	0.061 (3)	0.030 (2)	0.022 (2)	0.0098 (17)	0.0013 (16)	0.0043 (16)
N1	0.026 (3)	0.017 (2)	0.032 (2)	−0.0020 (19)	−0.0047 (19)	0.0092 (19)
N2	0.027 (3)	0.022 (2)	0.033 (2)	0.0026 (19)	0.006 (2)	0.0106 (19)
N3	0.026 (3)	0.025 (3)	0.055 (3)	−0.007 (2)	−0.008 (2)	0.020 (2)
C1	0.028 (3)	0.036 (4)	0.025 (4)	0.008 (3)	0.013 (2)	0.007 (3)
C2	0.051 (4)	0.034 (3)	0.026 (3)	0.004 (3)	0.010 (2)	−0.002 (2)
C3	0.040 (4)	0.024 (3)	0.032 (4)	0.001 (2)	−0.001 (3)	−0.006 (2)
C4	0.045 (4)	0.039 (3)	0.026 (3)	−0.005 (3)	−0.011 (3)	0.004 (3)
C5	0.042 (4)	0.040 (4)	0.045 (4)	−0.006 (3)	−0.001 (3)	−0.013 (3)
C6	0.053 (4)	0.071 (4)	0.055 (4)	−0.014 (3)	−0.010 (4)	0.002 (4)
C7	0.077 (6)	0.090 (5)	0.050 (5)	−0.013 (4)	−0.029 (4)	0.024 (4)
C8	0.053 (4)	0.064 (4)	0.035 (4)	−0.006 (3)	−0.002 (3)	0.010 (3)
C9	0.059 (5)	0.126 (7)	0.078 (5)	−0.051 (4)	0.024 (4)	−0.036 (5)
C10	0.038 (4)	0.029 (3)	0.021 (3)	−0.008 (3)	0.004 (2)	0.002 (2)
C11	0.036 (3)	0.025 (3)	0.043 (4)	−0.002 (3)	−0.001 (2)	0.008 (3)
C12	0.029 (3)	0.033 (3)	0.050 (4)	−0.008 (2)	0.001 (3)	0.008 (3)
C13	0.028 (3)	0.037 (3)	0.054 (4)	0.006 (3)	−0.009 (3)	0.001 (3)
C14	0.037 (4)	0.055 (4)	0.050 (4)	0.003 (3)	−0.001 (3)	0.003 (3)
C15	0.043 (4)	0.066 (4)	0.054 (5)	0.013 (3)	−0.010 (3)	0.012 (3)
C16	0.040 (4)	0.083 (5)	0.058 (5)	0.022 (4)	−0.002 (3)	0.016 (4)
C17	0.041 (4)	0.052 (4)	0.059 (4)	0.002 (3)	0.007 (4)	−0.001 (4)
C18	0.069 (5)	0.113 (6)	0.047 (4)	0.041 (4)	−0.004 (3)	0.006 (4)
C19	0.023 (3)	0.029 (4)	0.029 (3)	−0.003 (3)	0.003 (3)	−0.010 (3)
C20	0.046 (3)	0.041 (3)	0.032 (4)	0.011 (3)	−0.003 (2)	−0.004 (3)
C21	0.043 (3)	0.033 (3)	0.027 (3)	−0.003 (3)	0.008 (3)	−0.006 (3)
C22	0.037 (4)	0.025 (3)	0.049 (4)	−0.004 (3)	−0.001 (3)	−0.006 (3)
C23	0.042 (4)	0.045 (4)	0.053 (4)	0.005 (3)	−0.008 (3)	−0.020 (3)
C24	0.042 (4)	0.089 (6)	0.074 (6)	−0.004 (4)	0.012 (4)	−0.041 (5)
C25	0.074 (6)	0.090 (6)	0.052 (5)	−0.029 (5)	0.033 (4)	−0.009 (4)
C26	0.074 (5)	0.056 (4)	0.033 (4)	−0.005 (4)	0.003 (3)	−0.002 (3)
C27	0.075 (6)	0.045 (5)	0.116 (7)	0.018 (4)	−0.036 (5)	−0.013 (4)
C28	0.033 (3)	0.022 (3)	0.033 (3)	−0.005 (3)	0.007 (3)	−0.008 (2)
C29	0.029 (3)	0.041 (3)	0.060 (4)	−0.005 (2)	0.012 (3)	0.020 (3)
C30	0.028 (3)	0.026 (3)	0.055 (4)	−0.003 (3)	0.017 (3)	0.009 (3)
C31	0.044 (3)	0.022 (3)	0.043 (4)	0.001 (3)	0.009 (3)	0.002 (2)
C32	0.045 (4)	0.050 (4)	0.033 (4)	−0.010 (3)	0.005 (3)	−0.003 (3)
C33	0.040 (3)	0.033 (3)	0.046 (4)	0.005 (2)	0.003 (3)	0.001 (3)
C34	0.035 (3)	0.034 (3)	0.051 (4)	−0.008 (3)	0.012 (3)	−0.010 (3)
C35	0.029 (3)	0.048 (4)	0.038 (3)	−0.009 (3)	0.003 (3)	0.004 (3)
C36	0.050 (9)	0.094 (11)	0.064 (9)	−0.032 (8)	−0.012 (6)	−0.015 (8)
C37	0.071 (9)	0.069 (8)	0.039 (8)	0.038 (7)	−0.022 (6)	−0.010 (6)
C38	0.035 (3)	0.017 (3)	0.021 (3)	−0.002 (3)	0.002 (3)	0.0007 (19)
C39	0.039 (4)	0.024 (3)	0.055 (4)	0.002 (3)	0.015 (3)	0.019 (3)
C40	0.033 (3)	0.036 (4)	0.066 (4)	0.010 (3)	0.016 (3)	0.019 (3)
C41	0.031 (4)	0.018 (3)	0.048 (4)	−0.002 (2)	0.000 (3)	0.012 (3)

Geometric parameters (Å, º)

Cu1—O4	1.958 (3)	C3—C8	1.372 (7)
Cu1—O2	1.961 (3)	C3—C4	1.390 (7)
Cu1—O5	1.965 (3)	C4—C5	1.376 (7)
Cu1—O10	1.974 (3)	C5—C6	1.363 (8)
Cu1—N1	2.195 (4)	C6—C7	1.351 (8)
Cu1—Cu2	2.6588 (9)	C7—C8	1.378 (8)
Cu2—O6	1.952 (3)	C10—C11	1.503 (6)
Cu2—O3	1.962 (3)	C11—C12	1.499 (7)
Cu2—O1	1.974 (3)	C12—C17	1.384 (7)
Cu2—O12	1.977 (3)	C12—C13	1.392 (8)
Cu2—N2	2.194 (4)	C13—C14	1.381 (7)
O1—C1	1.267 (6)	C14—C15	1.380 (7)
O2—C1	1.255 (6)	C15—C16	1.357 (7)
O3—C10	1.251 (5)	C16—C17	1.388 (8)
O4—C10	1.264 (5)	C19—C20	1.531 (7)
O5—C28	1.262 (5)	C20—C21	1.512 (7)
O6—C28	1.252 (5)	C21—C22	1.384 (6)
O7—C5	1.396 (7)	C21—C26	1.395 (7)
O7—C9	1.434 (6)	C22—C23	1.391 (7)
O8—C14	1.375 (6)	C23—C24	1.379 (8)
O8—C18	1.428 (6)	C24—C25	1.344 (9)
O9—C32	1.381 (6)	C25—C26	1.389 (9)
O9—C36	1.413 (12)	C28—C29	1.520 (6)
O9—C37	1.516 (11)	C29—C30	1.501 (7)
O10—C19	1.247 (6)	C30—C31	1.366 (7)
O11—C23	1.362 (6)	C30—C35	1.380 (7)
O11—C27	1.423 (8)	C31—C32	1.387 (7)
O12—C19	1.266 (6)	C32—C33	1.362 (7)
N1—C41	1.339 (6)	C33—C34	1.374 (7)
N1—C38	1.348 (6)	C34—C35	1.390 (7)
N2—C39	1.322 (6)	C38—N2^ii	1.355 (6)
N2—C38^i	1.355 (6)	C39—C40	1.376 (7)
N3—C38	1.329 (5)	C40—C41^i	1.358 (7)
C1—C2	1.512 (7)	C41—C40^ii	1.358 (7)
C2—C3	1.510 (6)
O4—Cu1—O2	91.22 (13)	C4—C3—C2	121.9 (5)
O4—Cu1—O5	166.33 (13)	C5—C4—C3	120.6 (5)
O2—Cu1—O5	87.25 (14)	C6—C5—C4	121.4 (5)
O4—Cu1—O10	91.04 (14)	C6—C5—O7	123.1 (5)
O2—Cu1—O10	167.14 (14)	C4—C5—O7	115.5 (5)
O5—Cu1—O10	87.57 (15)	C7—C6—C5	117.4 (6)
O4—Cu1—N1	90.08 (14)	C6—C7—C8	123.1 (6)
O2—Cu1—N1	99.30 (14)	C3—C8—C7	119.5 (5)
O5—Cu1—N1	103.57 (14)	O3—C10—O4	123.7 (4)
O10—Cu1—N1	93.36 (14)	O3—C10—C11	119.6 (4)
O4—Cu1—Cu2	78.20 (9)	O4—C10—C11	116.7 (4)
O2—Cu1—Cu2	83.23 (10)	C12—C11—C10	112.6 (4)
O5—Cu1—Cu2	88.13 (9)	C17—C12—C13	118.6 (5)
O10—Cu1—Cu2	84.84 (10)	C17—C12—C11	122.3 (5)
N1—Cu1—Cu2	168.09 (11)	C13—C12—C11	119.0 (5)
O6—Cu2—O3	167.84 (13)	C14—C13—C12	120.6 (5)
O6—Cu2—O1	88.16 (14)	O8—C14—C15	116.0 (5)
O3—Cu2—O1	90.76 (14)	O8—C14—C13	123.7 (5)
O6—Cu2—O12	88.42 (14)	C15—C14—C13	120.2 (6)
O3—Cu2—O12	89.93 (14)	C16—C15—C14	119.3 (5)
O1—Cu2—O12	166.93 (14)	C15—C16—C17	121.5 (6)
O6—Cu2—N2	93.74 (14)	C12—C17—C16	119.8 (6)
O3—Cu2—N2	98.35 (14)	O10—C19—O12	126.2 (5)
O1—Cu2—N2	101.24 (14)	O10—C19—C20	117.8 (5)
O12—Cu2—N2	91.57 (15)	O12—C19—C20	116.0 (5)
O6—Cu2—Cu1	79.24 (9)	C21—C20—C19	112.6 (4)
O3—Cu2—Cu1	88.60 (9)	C22—C21—C26	119.2 (5)
O1—Cu2—Cu1	84.02 (10)	C22—C21—C20	120.4 (5)
O12—Cu2—Cu1	82.96 (10)	C26—C21—C20	120.4 (5)
N2—Cu2—Cu1	171.17 (11)	C21—C22—C23	120.6 (5)
C1—O1—Cu2	122.0 (3)	O11—C23—C24	117.5 (6)
C1—O2—Cu1	124.5 (3)	O11—C23—C22	123.5 (6)
C10—O3—Cu2	118.2 (3)	C24—C23—C22	119.0 (6)
C10—O4—Cu1	130.1 (3)	C25—C24—C23	121.1 (6)
C28—O5—Cu1	117.4 (3)	C24—C25—C26	121.0 (6)
C28—O6—Cu2	128.6 (3)	C25—C26—C21	119.2 (6)
C5—O7—C9	116.2 (5)	O6—C28—O5	125.8 (4)
C14—O8—C18	116.6 (4)	O6—C28—C29	117.8 (5)
C32—O9—C36	116.5 (6)	O5—C28—C29	116.4 (4)
C32—O9—C37	118.5 (5)	C30—C29—C28	114.2 (4)
C36—O9—C37	123.7 (7)	C31—C30—C35	118.9 (5)
C19—O10—Cu1	121.6 (3)	C31—C30—C29	120.7 (5)
C23—O11—C27	117.0 (5)	C35—C30—C29	120.3 (5)
C19—O12—Cu2	123.6 (3)	C30—C31—C32	119.9 (5)
C41—N1—C38	116.6 (4)	C33—C32—O9	120.3 (5)
C41—N1—Cu1	116.9 (3)	C33—C32—C31	121.5 (5)
C38—N1—Cu1	126.4 (3)	O9—C32—C31	118.2 (5)
C39—N2—C38^i	116.8 (4)	C32—C33—C34	119.0 (5)
C39—N2—Cu2	114.2 (3)	C33—C34—C35	119.9 (5)
C38^i—N2—Cu2	128.9 (3)	C30—C35—C34	120.7 (5)
O2—C1—O1	124.7 (5)	N3—C38—N1	118.7 (5)
O2—C1—C2	117.8 (5)	N3—C38—N2^ii	117.5 (4)
O1—C1—C2	117.3 (5)	N1—C38—N2^ii	123.8 (4)
C3—C2—C1	111.7 (4)	N2—C39—C40	123.2 (5)
C8—C3—C4	117.9 (5)	C41^i—C40—C39	116.3 (5)
C8—C3—C2	120.2 (5)	N1—C41—C40^ii	123.2 (5)

Symmetry codes: (i) −x+3/2, y+1/2, z−1/2; (ii) −x+3/2, y−1/2, z+1/2.