| Literature DB >> 21201596 |
Muhammad Shahid, Muhammad Mazhar, Madeleine Helliwell, Javeed Akhtar, Kibriya Ahmad.
Abstract
The title complex, [Cu(4)(C(5)H(12)NO)(2)(C(2)H(3)O(2))(6)(C(4)H(8)O)(2)](n), consists of dinuclear [Cu(2)(C(5)H(12)NO)(2)(THF)(2)] (THF is tetra-hydro-furan) and [Cu(2)(CH(3)COO)(4)] units linked through acetate ions, generating parallel one-dimensional polymeric chains propagating in the [10] direction. In the first dinuclear unit, Cu(II) ions related by inversion symmetry are bridged by two 3-(dimethyl-amino)propan-1-olate ligands. Likewise, a pair of inversion-related Cu(II) ions are bridged by four acetate groups. The crystallographically independent Cu centers are linked to one another by a single bridging acetate group, generating an infinite chain. The distorted square-pyramidal coordination of the first metal center is completed with an apical THF mol-ecule, with a long Cu-O bond length of 2.476 (5) Å. The geometry around the other metal atom is close to octa-hedral, and the Cu⋯Cu separation in this unit is 2.652 (1) Å. The distance between the metal centers in the first dinuclear unit is considerably longer [3.068 (1) Å], suggesting little or no bonding inter-action. The Cu⋯Cu separation between two acetate-bridged independent Cu centers is 4.860 (2) Å. The THF mol-ecule has methyl-ene groups disordered over two positions, with occupancies of 0.608 (13) and 0.392 (13).Entities:
Year: 2008 PMID: 21201596 PMCID: PMC2960524 DOI: 10.1107/S1600536808024148
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cu4(C5H12NO)2(C2H3O2)6(C4H8O)2] | |
| Monoclinic, | Mo |
| Hall symbol: -C 2yc | Cell parameters from 2913 reflections |
| θ = 2.4–26.4º | |
| µ = 2.17 mm−1 | |
| β = 105.782 (5)º | Plate, blue |
| 0.23 × 0.10 × 0.04 mm | |
| Bruker SMART CCD area-detector diffractometer | 3300 reflections with |
| Radiation source: fine-focus sealed tube | |
| Monochromator: graphite | θmax = 26.4º |
| θmin = 2.4º | |
| φ and ω scans | |
| Absorption correction: none | |
| 15315 measured reflections | |
| 4093 independent reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H-atom parameters constrained | |
| | |
| (Δ/σ)max < 0.001 | |
| 4093 reflections | Δρmax = 1.17 e Å−3 |
| 268 parameters | Δρmin = −0.89 e Å−3 |
| 167 restraints | Extinction correction: none |
| Primary atom site location: structure-invariant direct methods |
| Occ. (<1) | |||||
| Cu1 | 0.30186 (3) | 0.30456 (8) | 0.55814 (4) | 0.0138 (2) | |
| Cu2 | 0.45657 (3) | 0.02909 (8) | 0.52386 (4) | 0.0172 (2) | |
| O1 | 0.25020 (14) | 0.3612 (4) | 0.4632 (2) | 0.0151 (8) | |
| O2 | 0.35126 (14) | 0.2046 (5) | 0.6459 (2) | 0.0176 (9) | |
| O3 | 0.38789 (15) | 0.0922 (5) | 0.5624 (2) | 0.0185 (9) | |
| O4 | 0.48175 (19) | −0.1399 (6) | 0.5945 (3) | 0.0396 (13) | |
| O5 | 0.55563 (17) | −0.1852 (5) | 0.5562 (2) | 0.0256 (10) | |
| O6 | 0.42008 (17) | −0.1147 (6) | 0.4445 (3) | 0.0351 (12) | |
| O7 | 0.49313 (17) | −0.1635 (5) | 0.4038 (3) | 0.0291 (11) | |
| N1 | 0.35282 (19) | 0.4863 (5) | 0.5650 (3) | 0.0183 (11) | |
| C1 | 0.3780 (3) | 0.5304 (8) | 0.6455 (4) | 0.0299 (15) | |
| H1A | 0.4026 | 0.6114 | 0.6466 | 0.045* | |
| H1B | 0.3973 | 0.4472 | 0.6734 | 0.045* | |
| H1C | 0.3504 | 0.5614 | 0.6689 | 0.045* | |
| C2 | 0.3966 (2) | 0.4443 (7) | 0.5296 (4) | 0.0238 (14) | |
| H2A | 0.4181 | 0.5305 | 0.5265 | 0.036* | |
| H2B | 0.3810 | 0.4057 | 0.4787 | 0.036* | |
| H2C | 0.4191 | 0.3694 | 0.5606 | 0.036* | |
| C3 | 0.3233 (2) | 0.6201 (7) | 0.5256 (4) | 0.0236 (14) | |
| H3A | 0.3493 | 0.6994 | 0.5275 | 0.028* | |
| H3B | 0.2985 | 0.6534 | 0.5542 | 0.028* | |
| C4 | 0.2913 (2) | 0.5957 (7) | 0.4414 (4) | 0.0256 (15) | |
| H4A | 0.2821 | 0.6919 | 0.4168 | 0.031* | |
| H4B | 0.3141 | 0.5439 | 0.4148 | 0.031* | |
| C5 | 0.2399 (2) | 0.5068 (7) | 0.4328 (4) | 0.0235 (14) | |
| H5A | 0.2169 | 0.5586 | 0.4591 | 0.028* | |
| H5B | 0.2206 | 0.5005 | 0.3786 | 0.028* | |
| C6 | 0.3837 (2) | 0.1105 (7) | 0.6289 (3) | 0.0180 (13) | |
| C7 | 0.4177 (3) | 0.0192 (8) | 0.6959 (4) | 0.0328 (17) | |
| H7A | 0.4166 | −0.0839 | 0.6813 | 0.049* | |
| H7B | 0.4035 | 0.0299 | 0.7397 | 0.049* | |
| H7C | 0.4544 | 0.0540 | 0.7090 | 0.049* | |
| C8 | 0.5252 (2) | −0.2083 (7) | 0.5982 (4) | 0.0209 (13) | |
| C9 | 0.5405 (3) | −0.3270 (7) | 0.6589 (4) | 0.0319 (16) | |
| H9A | 0.5155 | −0.4085 | 0.6456 | 0.048* | |
| H9B | 0.5394 | −0.2866 | 0.7078 | 0.048* | |
| H9C | 0.5764 | −0.3620 | 0.6623 | 0.048* | |
| C10 | 0.4439 (2) | −0.1799 (7) | 0.4023 (4) | 0.0211 (13) | |
| C11 | 0.4112 (3) | −0.2912 (7) | 0.3460 (4) | 0.0311 (16) | |
| H11A | 0.3992 | −0.3694 | 0.3738 | 0.047* | |
| H11B | 0.4332 | −0.3328 | 0.3158 | 0.047* | |
| H11C | 0.3804 | −0.2424 | 0.3126 | 0.047* | |
| O1S | 0.25794 (16) | 0.4312 (6) | 0.6472 (2) | 0.0302 (10) | |
| C1S | 0.2630 (5) | 0.3409 (16) | 0.7175 (6) | 0.031 (2) | 0.608 (13) |
| H1S1 | 0.2811 | 0.3983 | 0.7628 | 0.037* | 0.608 (13) |
| H1S2 | 0.2843 | 0.2524 | 0.7159 | 0.037* | 0.608 (13) |
| C2S | 0.2070 (5) | 0.2968 (15) | 0.7220 (8) | 0.035 (2) | 0.608 (13) |
| H2S1 | 0.1953 | 0.2038 | 0.6952 | 0.042* | 0.608 (13) |
| H2S2 | 0.2054 | 0.2885 | 0.7750 | 0.042* | 0.608 (13) |
| C3S | 0.1749 (4) | 0.4257 (14) | 0.6819 (6) | 0.0286 (18) | 0.608 (13) |
| H3S1 | 0.1781 | 0.5108 | 0.7161 | 0.034* | 0.608 (13) |
| H3S2 | 0.1370 | 0.3998 | 0.6620 | 0.034* | 0.608 (13) |
| C4S | 0.2002 (2) | 0.4563 (8) | 0.6182 (4) | 0.0272 (12) | 0.608 (13) |
| H4S1 | 0.1851 | 0.3906 | 0.5749 | 0.033* | 0.608 (13) |
| H4S2 | 0.1933 | 0.5585 | 0.6007 | 0.033* | 0.608 (13) |
| C1T | 0.2742 (8) | 0.392 (3) | 0.7265 (8) | 0.034 (3) | 0.392 (13) |
| H1T1 | 0.2724 | 0.4753 | 0.7599 | 0.041* | 0.392 (13) |
| H1T2 | 0.3099 | 0.3474 | 0.7417 | 0.041* | 0.392 (13) |
| C2T | 0.2304 (7) | 0.281 (2) | 0.7224 (11) | 0.037 (3) | 0.392 (13) |
| H2T1 | 0.2230 | 0.2718 | 0.7722 | 0.044* | 0.392 (13) |
| H2T2 | 0.2410 | 0.1843 | 0.7075 | 0.044* | 0.392 (13) |
| C3T | 0.1812 (6) | 0.337 (2) | 0.6632 (9) | 0.030 (2) | 0.392 (13) |
| H3T1 | 0.1552 | 0.3768 | 0.6881 | 0.036* | 0.392 (13) |
| H3T2 | 0.1642 | 0.2560 | 0.6293 | 0.036* | 0.392 (13) |
| C4T | 0.2002 (2) | 0.4563 (8) | 0.6182 (4) | 0.0272 (12) | 0.392 (13) |
| H4T1 | 0.1874 | 0.4401 | 0.5630 | 0.033* | 0.392 (13) |
| H4T2 | 0.1899 | 0.5551 | 0.6307 | 0.033* | 0.392 (13) |
| Cu1 | 0.0061 (3) | 0.0192 (4) | 0.0153 (4) | 0.0016 (3) | 0.0012 (3) | −0.0012 (3) |
| Cu2 | 0.0079 (3) | 0.0222 (4) | 0.0218 (4) | 0.0048 (3) | 0.0045 (3) | 0.0020 (3) |
| O1 | 0.0100 (18) | 0.015 (2) | 0.017 (2) | 0.0006 (16) | −0.0010 (16) | 0.0048 (17) |
| O2 | 0.0077 (19) | 0.026 (2) | 0.017 (2) | 0.0038 (16) | 0.0001 (16) | −0.0036 (18) |
| O3 | 0.0070 (18) | 0.032 (3) | 0.016 (2) | 0.0028 (17) | 0.0023 (16) | 0.0001 (18) |
| O4 | 0.028 (3) | 0.043 (3) | 0.056 (3) | 0.021 (2) | 0.026 (3) | 0.028 (3) |
| O5 | 0.018 (2) | 0.035 (3) | 0.026 (2) | 0.0129 (19) | 0.0088 (19) | 0.008 (2) |
| O6 | 0.013 (2) | 0.044 (3) | 0.050 (3) | −0.006 (2) | 0.010 (2) | −0.022 (3) |
| O7 | 0.017 (2) | 0.045 (3) | 0.025 (2) | −0.003 (2) | 0.0047 (19) | −0.010 (2) |
| N1 | 0.012 (2) | 0.021 (3) | 0.024 (3) | −0.002 (2) | 0.007 (2) | −0.003 (2) |
| C1 | 0.025 (3) | 0.035 (4) | 0.024 (4) | −0.004 (3) | −0.004 (3) | −0.007 (3) |
| C2 | 0.013 (3) | 0.024 (4) | 0.037 (4) | 0.001 (2) | 0.011 (3) | −0.002 (3) |
| C3 | 0.014 (3) | 0.020 (3) | 0.035 (4) | 0.001 (2) | 0.002 (3) | −0.001 (3) |
| C4 | 0.016 (3) | 0.019 (3) | 0.039 (4) | −0.003 (2) | 0.002 (3) | 0.009 (3) |
| C5 | 0.013 (3) | 0.027 (4) | 0.028 (3) | 0.000 (2) | 0.001 (3) | 0.002 (3) |
| C6 | 0.007 (3) | 0.022 (3) | 0.023 (3) | −0.003 (2) | 0.000 (2) | 0.001 (3) |
| C7 | 0.027 (4) | 0.044 (4) | 0.027 (4) | 0.021 (3) | 0.007 (3) | 0.010 (3) |
| C8 | 0.018 (3) | 0.022 (3) | 0.020 (3) | −0.001 (2) | 0.001 (2) | 0.000 (3) |
| C9 | 0.027 (4) | 0.028 (4) | 0.042 (4) | 0.010 (3) | 0.012 (3) | 0.014 (3) |
| C10 | 0.018 (3) | 0.018 (3) | 0.025 (3) | 0.003 (2) | 0.003 (3) | 0.007 (3) |
| C11 | 0.030 (4) | 0.026 (4) | 0.033 (4) | −0.004 (3) | 0.001 (3) | −0.002 (3) |
| O1S | 0.0107 (18) | 0.057 (3) | 0.024 (2) | 0.0075 (19) | 0.0063 (17) | −0.003 (2) |
| C1S | 0.014 (4) | 0.055 (5) | 0.021 (4) | 0.011 (4) | 0.000 (3) | −0.002 (4) |
| C2S | 0.020 (4) | 0.049 (5) | 0.034 (4) | 0.005 (4) | 0.006 (4) | 0.010 (3) |
| C3S | 0.012 (3) | 0.042 (4) | 0.032 (4) | 0.002 (3) | 0.007 (3) | 0.002 (4) |
| C4S | 0.011 (2) | 0.041 (3) | 0.029 (2) | 0.008 (2) | 0.0047 (19) | 0.004 (2) |
| C1T | 0.015 (4) | 0.060 (6) | 0.023 (4) | 0.008 (4) | −0.002 (4) | −0.003 (5) |
| C2T | 0.025 (5) | 0.052 (5) | 0.030 (5) | 0.008 (5) | 0.001 (4) | 0.008 (4) |
| C3T | 0.015 (4) | 0.045 (5) | 0.030 (4) | 0.004 (4) | 0.006 (4) | 0.003 (4) |
| C4T | 0.011 (2) | 0.041 (3) | 0.029 (2) | 0.008 (2) | 0.0047 (19) | 0.004 (2) |
| Cu1—O1 | 1.926 (4) | C5—H5B | 0.9700 |
| Cu1—O2 | 1.956 (4) | C6—C7 | 1.522 (8) |
| Cu1—O1i | 1.967 (4) | C7—H7A | 0.9600 |
| Cu1—N1 | 2.074 (5) | C7—H7B | 0.9600 |
| Cu2—O6 | 1.965 (5) | C7—H7C | 0.9600 |
| Cu2—O4 | 1.972 (5) | C8—C9 | 1.501 (8) |
| Cu2—O5ii | 1.974 (4) | C9—H9A | 0.9600 |
| Cu2—O7ii | 1.977 (4) | C9—H9B | 0.9600 |
| Cu2—O3 | 2.141 (4) | C9—H9C | 0.9600 |
| Cu2—Cu2ii | 2.6520 (14) | C10—C11 | 1.506 (9) |
| O1—C5 | 1.414 (7) | C11—H11A | 0.9600 |
| O1—Cu1i | 1.967 (4) | C11—H11B | 0.9600 |
| O2—C6 | 1.280 (7) | C11—H11C | 0.9600 |
| O3—C6 | 1.243 (7) | O1S—C1T | 1.420 (13) |
| O4—C8 | 1.260 (7) | O1S—C4S | 1.449 (6) |
| O5—C8 | 1.244 (7) | O1S—C1S | 1.480 (10) |
| O5—Cu2ii | 1.974 (4) | C1S—C2S | 1.514 (12) |
| O6—C10 | 1.244 (7) | C1S—H1S1 | 0.9700 |
| O7—C10 | 1.265 (7) | C1S—H1S2 | 0.9700 |
| O7—Cu2ii | 1.977 (4) | C2S—C3S | 1.489 (11) |
| N1—C1 | 1.473 (8) | C2S—H2S1 | 0.9700 |
| N1—C2 | 1.485 (7) | C2S—H2S2 | 0.9700 |
| N1—C3 | 1.492 (8) | C3S—C4S | 1.493 (10) |
| C1—H1A | 0.9600 | C3S—H3S1 | 0.9700 |
| C1—H1B | 0.9600 | C3S—H3S2 | 0.9700 |
| C1—H1C | 0.9600 | C4S—H4S1 | 0.9700 |
| C2—H2A | 0.9600 | C4S—H4S2 | 0.9700 |
| C2—H2B | 0.9600 | C1T—C2T | 1.487 (14) |
| C2—H2C | 0.9600 | C1T—H1T1 | 0.9700 |
| C3—C4 | 1.532 (9) | C1T—H1T2 | 0.9700 |
| C3—H3A | 0.9700 | C2T—C3T | 1.499 (14) |
| C3—H3B | 0.9700 | C2T—H2T1 | 0.9700 |
| C4—C5 | 1.514 (8) | C2T—H2T2 | 0.9700 |
| C4—H4A | 0.9700 | C3T—H3T1 | 0.9700 |
| C4—H4B | 0.9700 | C3T—H3T2 | 0.9700 |
| C5—H5A | 0.9700 | ||
| O1—Cu1—O2 | 167.93 (17) | O3—C6—C7 | 120.8 (5) |
| O1—Cu1—O1i | 75.99 (18) | O2—C6—C7 | 115.8 (5) |
| O2—Cu1—O1i | 93.93 (16) | C6—C7—H7A | 109.5 |
| O1—Cu1—N1 | 96.69 (18) | C6—C7—H7B | 109.5 |
| O2—Cu1—N1 | 93.02 (18) | H7A—C7—H7B | 109.5 |
| O1i—Cu1—N1 | 172.24 (18) | C6—C7—H7C | 109.5 |
| O6—Cu2—O4 | 88.5 (2) | H7A—C7—H7C | 109.5 |
| O6—Cu2—O5ii | 89.1 (2) | H7B—C7—H7C | 109.5 |
| O4—Cu2—O5ii | 167.51 (18) | O5—C8—O4 | 125.5 (6) |
| O6—Cu2—O7ii | 167.87 (18) | O5—C8—C9 | 118.6 (5) |
| O4—Cu2—O7ii | 90.1 (2) | O4—C8—C9 | 115.9 (5) |
| O5ii—Cu2—O7ii | 89.7 (2) | C8—C9—H9A | 109.5 |
| O6—Cu2—O3 | 97.94 (17) | C8—C9—H9B | 109.5 |
| O4—Cu2—O3 | 98.52 (17) | H9A—C9—H9B | 109.5 |
| O5ii—Cu2—O3 | 93.94 (16) | C8—C9—H9C | 109.5 |
| O7ii—Cu2—O3 | 94.19 (17) | H9A—C9—H9C | 109.5 |
| O6—Cu2—Cu2ii | 84.91 (13) | H9B—C9—H9C | 109.5 |
| O4—Cu2—Cu2ii | 84.33 (13) | O6—C10—O7 | 125.9 (6) |
| O5ii—Cu2—Cu2ii | 83.26 (12) | O6—C10—C11 | 116.5 (5) |
| O7ii—Cu2—Cu2ii | 82.96 (13) | O7—C10—C11 | 117.6 (6) |
| O3—Cu2—Cu2ii | 176.00 (12) | C10—C11—H11A | 109.5 |
| C5—O1—Cu1 | 126.8 (4) | C10—C11—H11B | 109.5 |
| C5—O1—Cu1i | 125.3 (3) | H11A—C11—H11B | 109.5 |
| Cu1—O1—Cu1i | 104.01 (18) | C10—C11—H11C | 109.5 |
| C6—O2—Cu1 | 115.5 (4) | H11A—C11—H11C | 109.5 |
| C6—O3—Cu2 | 130.0 (4) | H11B—C11—H11C | 109.5 |
| C8—O4—Cu2 | 122.6 (4) | C1T—O1S—C4S | 113.2 (10) |
| C8—O5—Cu2ii | 124.2 (4) | C4S—O1S—C1S | 103.7 (6) |
| C10—O6—Cu2 | 122.5 (4) | O1S—C1S—C2S | 109.0 (8) |
| C10—O7—Cu2ii | 123.7 (4) | O1S—C1S—H1S1 | 109.9 |
| C1—N1—C2 | 108.1 (5) | C2S—C1S—H1S1 | 109.9 |
| C1—N1—C3 | 106.4 (5) | O1S—C1S—H1S2 | 109.9 |
| C2—N1—C3 | 110.3 (5) | C2S—C1S—H1S2 | 109.9 |
| C1—N1—Cu1 | 111.7 (4) | H1S1—C1S—H1S2 | 108.3 |
| C2—N1—Cu1 | 108.3 (4) | C3S—C2S—C1S | 100.4 (9) |
| C3—N1—Cu1 | 111.9 (3) | C3S—C2S—H2S1 | 111.7 |
| N1—C1—H1A | 109.5 | C1S—C2S—H2S1 | 111.7 |
| N1—C1—H1B | 109.5 | C3S—C2S—H2S2 | 111.7 |
| H1A—C1—H1B | 109.5 | C1S—C2S—H2S2 | 111.7 |
| N1—C1—H1C | 109.5 | H2S1—C2S—H2S2 | 109.5 |
| H1A—C1—H1C | 109.5 | C2S—C3S—C4S | 102.4 (8) |
| H1B—C1—H1C | 109.5 | C2S—C3S—H3S1 | 111.3 |
| N1—C2—H2A | 109.5 | C4S—C3S—H3S1 | 111.3 |
| N1—C2—H2B | 109.5 | C2S—C3S—H3S2 | 111.3 |
| H2A—C2—H2B | 109.5 | C4S—C3S—H3S2 | 111.3 |
| N1—C2—H2C | 109.5 | H3S1—C3S—H3S2 | 109.2 |
| H2A—C2—H2C | 109.5 | O1S—C4S—C3S | 108.2 (6) |
| H2B—C2—H2C | 109.5 | O1S—C4S—H4S1 | 110.1 |
| N1—C3—C4 | 115.0 (5) | C3S—C4S—H4S1 | 110.1 |
| N1—C3—H3A | 108.5 | O1S—C4S—H4S2 | 110.1 |
| C4—C3—H3A | 108.5 | C3S—C4S—H4S2 | 110.1 |
| N1—C3—H3B | 108.5 | H4S1—C4S—H4S2 | 108.4 |
| C4—C3—H3B | 108.5 | O1S—C1T—C2T | 96.0 (13) |
| H3A—C3—H3B | 107.5 | O1S—C1T—H1T1 | 112.5 |
| C5—C4—C3 | 113.2 (5) | C2T—C1T—H1T1 | 112.5 |
| C5—C4—H4A | 108.9 | O1S—C1T—H1T2 | 112.5 |
| C3—C4—H4A | 108.9 | C2T—C1T—H1T2 | 112.5 |
| C5—C4—H4B | 108.9 | H1T1—C1T—H1T2 | 110.1 |
| C3—C4—H4B | 108.9 | C1T—C2T—C3T | 107.0 (14) |
| H4A—C4—H4B | 107.7 | C1T—C2T—H2T1 | 110.3 |
| O1—C5—C4 | 112.4 (5) | C3T—C2T—H2T1 | 110.3 |
| O1—C5—H5A | 109.1 | C1T—C2T—H2T2 | 110.3 |
| C4—C5—H5A | 109.1 | C3T—C2T—H2T2 | 110.3 |
| O1—C5—H5B | 109.1 | H2T1—C2T—H2T2 | 108.6 |
| C4—C5—H5B | 109.1 | C2T—C3T—H3T1 | 110.4 |
| H5A—C5—H5B | 107.9 | C2T—C3T—H3T2 | 110.4 |
| O3—C6—O2 | 123.4 (5) | H3T1—C3T—H3T2 | 108.6 |
| O2—Cu1—O1—C5 | −167.5 (7) | C1—N1—C3—C4 | −176.8 (5) |
| O1i—Cu1—O1—C5 | 158.4 (5) | C2—N1—C3—C4 | 66.2 (6) |
| N1—Cu1—O1—C5 | −24.2 (5) | Cu1—N1—C3—C4 | −54.5 (6) |
| O2—Cu1—O1—Cu1i | 34.0 (8) | N1—C3—C4—C5 | 74.3 (7) |
| O1i—Cu1—O1—Cu1i | 0.001 (1) | Cu1—O1—C5—C4 | 41.8 (7) |
| N1—Cu1—O1—Cu1i | 177.36 (19) | Cu1i—O1—C5—C4 | −164.1 (4) |
| O1—Cu1—O2—C6 | 49.2 (9) | C3—C4—C5—O1 | −62.2 (7) |
| O1i—Cu1—O2—C6 | 82.2 (4) | Cu2—O3—C6—O2 | 148.6 (4) |
| N1—Cu1—O2—C6 | −94.4 (4) | Cu2—O3—C6—C7 | −31.7 (8) |
| O6—Cu2—O3—C6 | 136.6 (5) | Cu1—O2—C6—O3 | 6.6 (7) |
| O4—Cu2—O3—C6 | 46.9 (6) | Cu1—O2—C6—C7 | −173.2 (4) |
| O5ii—Cu2—O3—C6 | −133.8 (5) | Cu2ii—O5—C8—O4 | 2.4 (9) |
| O7ii—Cu2—O3—C6 | −43.8 (5) | Cu2ii—O5—C8—C9 | −177.7 (4) |
| O6—Cu2—O4—C8 | 88.2 (6) | Cu2—O4—C8—O5 | −4.3 (10) |
| O5ii—Cu2—O4—C8 | 9.5 (14) | Cu2—O4—C8—C9 | 175.8 (5) |
| O7ii—Cu2—O4—C8 | −79.7 (6) | Cu2—O6—C10—O7 | −0.3 (9) |
| O3—Cu2—O4—C8 | −174.0 (5) | Cu2—O6—C10—C11 | 177.8 (4) |
| Cu2ii—Cu2—O4—C8 | 3.2 (5) | Cu2ii—O7—C10—O6 | 0.6 (9) |
| O4—Cu2—O6—C10 | −84.5 (5) | Cu2ii—O7—C10—C11 | −177.5 (4) |
| O5ii—Cu2—O6—C10 | 83.3 (5) | C1T—O1S—C1S—C2S | 127 (4) |
| O7ii—Cu2—O6—C10 | −0.9 (14) | C4S—O1S—C1S—C2S | 7.9 (13) |
| O3—Cu2—O6—C10 | 177.1 (5) | O1S—C1S—C2S—C3S | −29.8 (14) |
| Cu2ii—Cu2—O6—C10 | 0.0 (5) | C1S—C2S—C3S—C4S | 38.9 (12) |
| O1—Cu1—N1—C1 | 146.9 (4) | C1T—O1S—C4S—C3S | −2.4 (15) |
| O2—Cu1—N1—C1 | −40.3 (4) | C1S—O1S—C4S—C3S | 17.8 (10) |
| O1—Cu1—N1—C2 | −94.2 (4) | C2S—C3S—C4S—O1S | −37.0 (11) |
| O2—Cu1—N1—C2 | 78.7 (4) | C4S—O1S—C1T—C2T | 45.5 (19) |
| O1—Cu1—N1—C3 | 27.7 (4) | C1S—O1S—C1T—C2T | −22 (3) |
| O2—Cu1—N1—C3 | −159.5 (4) | O1S—C1T—C2T—C3T | −34 (2) |