| Literature DB >> 21522846 |
Muhammad Danish, Sabiha Ghafoor, M Nawaz Tahir, Nazir Ahmad, Mehwish Nisa.
Abstract
The title compound, [Cu(2)(C(8)H(5)N(2)O(6))(4)(H(2)O)(2)]·4H(2)O, forms a centrosymmetric paddle-wheel-type dimer with an intra-molecular Cu⋯Cu distance of 2.6540 (4) Å. The Cu(II) atom is in a square-pyramidal coordination environment formed by four O atoms of four carboxyl-ate groups and one water mol-ecule, which is located in the apical position. The carboxyl-ate groups are twisted relative to the benzene rings by 11.09 (16) and 45.55 (19)°. The nitro groups are not coplanar with the parent aromatic rings [dihedral angles = 16.2 (3)-51.45 (14)°]. O-H⋯O hydrogen bonds between the coordinated water mol-ecules and one of the nitro groups, as well as π-π stacking inter-actions [centroid-centroid distance = 3.5764 (12) Å] between the benzene rings, assemble the complex mol-ecules into a one-dimensional polymeric structure which is further extended into a three-dimensional polymeric network via O-H⋯O hydrogen bonds involving the water molecules of crystallization.Entities:
Year: 2011 PMID: 21522846 PMCID: PMC3051452 DOI: 10.1107/S1600536811000547
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cu2(C8H5N2O6)4(H2O)2]·4H2O | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 4344 reflections |
| θ = 2.1–28.3° | |
| µ = 1.08 mm−1 | |
| β = 104.443 (1)° | Prism, blue |
| 0.30 × 0.24 × 0.22 mm | |
| Bruker Kappa APEXII CCD diffractometer | 5449 independent reflections |
| Radiation source: fine-focus sealed tube | 4344 reflections with |
| graphite | |
| Detector resolution: 7.50 pixels mm-1 | θmax = 28.3°, θmin = 2.1° |
| ω scans | |
| Absorption correction: multi-scan ( | |
| 21133 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H atoms treated by a mixture of independent and constrained refinement | |
| 5449 reflections | (Δ/σ)max = 0.001 |
| 345 parameters | Δρmax = 0.33 e Å−3 |
| 6 restraints | Δρmin = −0.28 e Å−3 |
| Geometry. Bond distances, angles |
| Refinement. Refinement of |
| Cu1 | 0.14133 (3) | −0.01627 (1) | 1.05844 (2) | 0.0264 (1) | |
| O1 | 0.17167 (19) | 0.06719 (7) | 1.10736 (17) | 0.0528 (6) | |
| O2 | −0.06417 (19) | 0.09368 (7) | 1.00866 (15) | 0.0474 (5) | |
| O3 | −0.1238 (3) | 0.32675 (9) | 0.9849 (2) | 0.0826 (9) | |
| O4 | −0.0417 (3) | 0.36016 (8) | 1.1678 (2) | 0.0701 (8) | |
| O5 | 0.5065 (2) | 0.29719 (9) | 1.30010 (18) | 0.0624 (7) | |
| O6 | 0.5609 (2) | 0.20680 (10) | 1.2665 (3) | 0.0901 (9) | |
| O7 | 0.19256 (18) | 0.00393 (8) | 0.90275 (14) | 0.0461 (5) | |
| O8 | 0.04616 (18) | −0.02830 (8) | 1.19572 (13) | 0.0445 (5) | |
| O9 | 0.2910 (2) | −0.08610 (9) | 0.45982 (19) | 0.0680 (8) | |
| O10 | 0.3870 (2) | −0.01075 (10) | 0.38692 (16) | 0.0623 (7) | |
| O11 | 0.0204 (3) | 0.15433 (11) | 0.34615 (17) | 0.0807 (9) | |
| O12 | −0.0072 (3) | 0.18886 (9) | 0.51609 (19) | 0.0792 (9) | |
| O13 | 0.3664 (2) | −0.04335 (10) | 1.14010 (15) | 0.0592 (7) | |
| N1 | −0.0457 (3) | 0.32313 (9) | 1.0898 (2) | 0.0496 (7) | |
| N2 | 0.4706 (2) | 0.24745 (10) | 1.2591 (2) | 0.0518 (7) | |
| N3 | 0.3119 (2) | −0.03328 (11) | 0.45226 (17) | 0.0472 (7) | |
| N4 | 0.0329 (3) | 0.15041 (10) | 0.45558 (18) | 0.0510 (7) | |
| C1 | 0.0668 (2) | 0.10469 (9) | 1.07283 (18) | 0.0321 (6) | |
| C2 | 0.1073 (2) | 0.16812 (8) | 1.10974 (17) | 0.0309 (6) | |
| C3 | −0.0028 (3) | 0.21412 (9) | 1.08940 (18) | 0.0347 (6) | |
| C4 | 0.0571 (3) | 0.27102 (9) | 1.1212 (2) | 0.0373 (6) | |
| C5 | 0.2074 (3) | 0.28347 (10) | 1.1774 (2) | 0.0400 (7) | |
| C6 | 0.3078 (3) | 0.23623 (10) | 1.19871 (19) | 0.0377 (7) | |
| C7 | 0.2606 (3) | 0.17952 (9) | 1.16425 (18) | 0.0350 (6) | |
| C8 | −0.1731 (3) | 0.20411 (11) | 1.0466 (3) | 0.0523 (8) | |
| C9 | 0.0935 (2) | 0.02030 (8) | 0.81066 (18) | 0.0308 (6) | |
| C10 | 0.1378 (2) | 0.03256 (9) | 0.69218 (17) | 0.0303 (6) | |
| C11 | 0.2268 (2) | −0.00702 (9) | 0.64135 (18) | 0.0333 (6) | |
| C12 | 0.2367 (2) | 0.00750 (10) | 0.52214 (19) | 0.0353 (6) | |
| C13 | 0.1764 (2) | 0.05764 (10) | 0.45945 (18) | 0.0379 (7) | |
| C14 | 0.0982 (2) | 0.09566 (10) | 0.51708 (18) | 0.0355 (6) | |
| C15 | 0.0760 (2) | 0.08360 (9) | 0.63150 (18) | 0.0341 (6) | |
| C16 | 0.3062 (3) | −0.05950 (12) | 0.7111 (2) | 0.0517 (8) | |
| O14 | 0.4622 (3) | 0.09823 (11) | 0.9851 (3) | 0.0827 (10) | |
| O15 | 0.8508 (3) | 0.29497 (14) | 0.3805 (4) | 0.1215 (14) | |
| H5 | 0.24001 | 0.32188 | 1.20013 | 0.0480* | |
| H7 | 0.33171 | 0.14872 | 1.17755 | 0.0421* | |
| H8A | −0.20137 | 0.19949 | 0.95920 | 0.0784* | |
| H8B | −0.22654 | 0.23750 | 1.06903 | 0.0784* | |
| H8C | −0.20028 | 0.16893 | 1.08435 | 0.0784* | |
| H13 | 0.18803 | 0.06549 | 0.38126 | 0.0455* | |
| H13A | 0.419 (3) | −0.0616 (13) | 1.105 (2) | 0.0711* | |
| H13B | 0.389 (4) | −0.0520 (14) | 1.2082 (17) | 0.0711* | |
| H15 | 0.01980 | 0.10960 | 0.66751 | 0.0409* | |
| H16A | 0.34251 | −0.04933 | 0.79617 | 0.0776* | |
| H16B | 0.39179 | −0.07080 | 0.67924 | 0.0776* | |
| H16C | 0.23523 | −0.09198 | 0.70265 | 0.0776* | |
| H14A | 0.428 (5) | 0.1281 (12) | 0.948 (3) | 0.0993* | |
| H14B | 0.410 (4) | 0.0722 (14) | 1.000 (4) | 0.0993* | |
| H15A | 0.910 (5) | 0.2681 (17) | 0.414 (4) | 0.1457* | |
| H15B | 0.755 (2) | 0.291 (2) | 0.352 (4) | 0.1457* |
| Cu1 | 0.0288 (1) | 0.0251 (1) | 0.0263 (1) | 0.0023 (1) | 0.0088 (1) | 0.0015 (1) |
| O1 | 0.0498 (9) | 0.0261 (8) | 0.0741 (12) | 0.0047 (7) | −0.0001 (8) | −0.0090 (8) |
| O2 | 0.0451 (9) | 0.0282 (8) | 0.0629 (10) | 0.0005 (7) | 0.0023 (8) | −0.0085 (7) |
| O3 | 0.0964 (17) | 0.0585 (13) | 0.0761 (14) | 0.0322 (12) | −0.0102 (12) | 0.0002 (11) |
| O4 | 0.0857 (15) | 0.0430 (11) | 0.0871 (14) | 0.0112 (10) | 0.0318 (12) | −0.0168 (10) |
| O5 | 0.0623 (12) | 0.0517 (11) | 0.0660 (12) | −0.0168 (9) | 0.0024 (9) | −0.0118 (9) |
| O6 | 0.0472 (12) | 0.0617 (14) | 0.147 (2) | 0.0052 (10) | −0.0027 (13) | −0.0153 (14) |
| O7 | 0.0371 (8) | 0.0709 (11) | 0.0326 (8) | 0.0032 (8) | 0.0129 (7) | 0.0138 (8) |
| O8 | 0.0399 (9) | 0.0664 (11) | 0.0310 (8) | 0.0109 (8) | 0.0160 (6) | 0.0103 (7) |
| O9 | 0.0780 (14) | 0.0575 (13) | 0.0740 (13) | 0.0053 (11) | 0.0294 (11) | −0.0234 (10) |
| O10 | 0.0497 (10) | 0.1042 (16) | 0.0394 (9) | −0.0029 (10) | 0.0233 (8) | −0.0130 (10) |
| O11 | 0.1012 (17) | 0.1012 (18) | 0.0450 (10) | 0.0273 (14) | 0.0284 (11) | 0.0341 (11) |
| O12 | 0.126 (2) | 0.0554 (12) | 0.0644 (13) | 0.0282 (13) | 0.0394 (13) | 0.0195 (10) |
| O13 | 0.0469 (10) | 0.0925 (15) | 0.0348 (9) | 0.0330 (10) | 0.0037 (8) | −0.0047 (10) |
| N1 | 0.0556 (13) | 0.0312 (10) | 0.0638 (14) | 0.0042 (9) | 0.0181 (11) | −0.0027 (10) |
| N2 | 0.0475 (12) | 0.0485 (12) | 0.0554 (13) | −0.0071 (10) | 0.0054 (10) | −0.0010 (10) |
| N3 | 0.0392 (10) | 0.0671 (15) | 0.0365 (10) | 0.0007 (10) | 0.0116 (8) | −0.0167 (10) |
| N4 | 0.0581 (13) | 0.0568 (13) | 0.0418 (11) | 0.0040 (10) | 0.0192 (10) | 0.0180 (10) |
| C1 | 0.0438 (12) | 0.0261 (10) | 0.0300 (10) | −0.0011 (8) | 0.0162 (9) | −0.0007 (8) |
| C2 | 0.0423 (11) | 0.0244 (9) | 0.0288 (9) | −0.0011 (8) | 0.0144 (8) | −0.0003 (8) |
| C3 | 0.0439 (12) | 0.0298 (10) | 0.0324 (10) | 0.0012 (9) | 0.0134 (9) | −0.0002 (8) |
| C4 | 0.0473 (12) | 0.0274 (10) | 0.0387 (11) | 0.0048 (9) | 0.0133 (10) | 0.0005 (9) |
| C5 | 0.0531 (13) | 0.0263 (10) | 0.0408 (12) | −0.0050 (9) | 0.0123 (10) | −0.0014 (9) |
| C6 | 0.0409 (12) | 0.0357 (11) | 0.0357 (11) | −0.0043 (9) | 0.0081 (9) | −0.0010 (9) |
| C7 | 0.0417 (12) | 0.0291 (10) | 0.0361 (11) | 0.0041 (9) | 0.0131 (9) | 0.0011 (9) |
| C8 | 0.0424 (13) | 0.0396 (13) | 0.0738 (17) | 0.0033 (10) | 0.0125 (12) | −0.0054 (12) |
| C9 | 0.0393 (11) | 0.0265 (10) | 0.0292 (10) | −0.0038 (8) | 0.0137 (8) | −0.0023 (8) |
| C10 | 0.0339 (10) | 0.0323 (10) | 0.0264 (9) | −0.0059 (8) | 0.0109 (8) | −0.0009 (8) |
| C11 | 0.0328 (10) | 0.0353 (11) | 0.0337 (10) | −0.0048 (8) | 0.0121 (8) | −0.0043 (9) |
| C12 | 0.0330 (10) | 0.0435 (12) | 0.0319 (10) | −0.0068 (9) | 0.0130 (8) | −0.0106 (9) |
| C13 | 0.0374 (11) | 0.0503 (13) | 0.0278 (10) | −0.0104 (10) | 0.0115 (8) | −0.0022 (9) |
| C14 | 0.0378 (11) | 0.0396 (12) | 0.0297 (10) | −0.0058 (9) | 0.0096 (8) | 0.0041 (9) |
| C15 | 0.0378 (11) | 0.0350 (11) | 0.0318 (10) | −0.0043 (9) | 0.0130 (9) | −0.0016 (9) |
| C16 | 0.0622 (16) | 0.0480 (14) | 0.0484 (14) | 0.0116 (12) | 0.0202 (12) | 0.0036 (12) |
| O14 | 0.0699 (16) | 0.0818 (18) | 0.111 (2) | 0.0008 (13) | 0.0501 (14) | −0.0127 (15) |
| O15 | 0.0781 (19) | 0.086 (2) | 0.186 (3) | −0.0088 (16) | 0.006 (2) | 0.035 (2) |
| Cu1—O1 | 1.9616 (16) | C1—C2 | 1.509 (3) |
| Cu1—O7 | 1.9749 (16) | C2—C3 | 1.412 (3) |
| Cu1—O8 | 1.9637 (15) | C2—C7 | 1.384 (3) |
| Cu1—O13 | 2.0914 (19) | C3—C4 | 1.403 (3) |
| Cu1—O2i | 1.9595 (16) | C3—C8 | 1.501 (4) |
| O1—C1 | 1.253 (3) | C4—C5 | 1.369 (4) |
| O2—C1 | 1.242 (3) | C5—C6 | 1.378 (3) |
| O3—N1 | 1.218 (3) | C6—C7 | 1.373 (3) |
| O4—N1 | 1.207 (3) | C9—C10 | 1.511 (3) |
| O5—N2 | 1.226 (3) | C10—C15 | 1.383 (3) |
| O6—N2 | 1.213 (3) | C10—C11 | 1.411 (3) |
| O7—C9 | 1.243 (2) | C11—C12 | 1.407 (3) |
| O8—C9i | 1.251 (2) | C11—C16 | 1.499 (3) |
| O9—N3 | 1.213 (3) | C12—C13 | 1.371 (3) |
| O10—N3 | 1.226 (3) | C13—C14 | 1.370 (3) |
| O11—N4 | 1.213 (3) | C14—C15 | 1.380 (3) |
| O12—N4 | 1.212 (3) | C5—H5 | 0.9300 |
| O13—H13B | 0.77 (2) | C7—H7 | 0.9300 |
| O13—H13A | 0.80 (3) | C8—H8A | 0.9600 |
| O14—H14A | 0.81 (3) | C8—H8B | 0.9600 |
| O14—H14B | 0.80 (3) | C8—H8C | 0.9600 |
| O15—H15A | 0.83 (4) | C13—H13 | 0.9300 |
| O15—H15B | 0.84 (3) | C15—H15 | 0.9300 |
| N1—C4 | 1.482 (3) | C16—H16B | 0.9600 |
| N2—C6 | 1.472 (3) | C16—H16C | 0.9600 |
| N3—C12 | 1.479 (3) | C16—H16A | 0.9600 |
| N4—C14 | 1.465 (3) | ||
| O1—Cu1—O7 | 88.94 (7) | C4—C5—C6 | 116.6 (2) |
| O1—Cu1—O8 | 88.19 (7) | C5—C6—C7 | 122.0 (2) |
| O1—Cu1—O13 | 96.06 (8) | N2—C6—C7 | 119.5 (2) |
| O1—Cu1—O2i | 167.09 (7) | N2—C6—C5 | 118.6 (2) |
| O7—Cu1—O8 | 167.24 (7) | C2—C7—C6 | 120.1 (2) |
| O7—Cu1—O13 | 92.58 (7) | O8i—C9—C10 | 113.81 (17) |
| O2i—Cu1—O7 | 90.06 (7) | O7—C9—C10 | 120.09 (17) |
| O8—Cu1—O13 | 100.09 (7) | O7—C9—O8i | 126.09 (19) |
| O2i—Cu1—O8 | 89.98 (7) | C11—C10—C15 | 121.60 (18) |
| O2i—Cu1—O13 | 96.84 (8) | C9—C10—C15 | 115.34 (17) |
| Cu1—O1—C1 | 121.32 (15) | C9—C10—C11 | 122.91 (17) |
| Cu1i—O2—C1 | 126.52 (14) | C10—C11—C16 | 122.00 (18) |
| Cu1—O7—C9 | 122.28 (14) | C10—C11—C12 | 114.66 (18) |
| Cu1—O8—C9i | 124.16 (13) | C12—C11—C16 | 123.33 (19) |
| Cu1—O13—H13A | 123.8 (17) | N3—C12—C13 | 114.37 (18) |
| Cu1—O13—H13B | 120 (3) | C11—C12—C13 | 124.97 (19) |
| H13A—O13—H13B | 109 (3) | N3—C12—C11 | 120.64 (19) |
| H14A—O14—H14B | 124 (4) | C12—C13—C14 | 117.07 (19) |
| H15A—O15—H15B | 125 (4) | C13—C14—C15 | 122.0 (2) |
| O3—N1—O4 | 124.5 (2) | N4—C14—C13 | 119.68 (19) |
| O4—N1—C4 | 118.1 (2) | N4—C14—C15 | 118.31 (19) |
| O3—N1—C4 | 117.3 (2) | C10—C15—C14 | 119.52 (18) |
| O5—N2—C6 | 118.0 (2) | C6—C5—H5 | 122.00 |
| O6—N2—C6 | 118.1 (2) | C4—C5—H5 | 122.00 |
| O5—N2—O6 | 123.9 (2) | C2—C7—H7 | 120.00 |
| O9—N3—O10 | 124.6 (2) | C6—C7—H7 | 120.00 |
| O10—N3—C12 | 117.0 (2) | C3—C8—H8A | 109.00 |
| O9—N3—C12 | 118.34 (19) | H8A—C8—H8B | 110.00 |
| O12—N4—C14 | 118.49 (19) | H8A—C8—H8C | 109.00 |
| O11—N4—O12 | 123.7 (2) | H8B—C8—H8C | 109.00 |
| O11—N4—C14 | 117.8 (2) | C3—C8—H8B | 109.00 |
| O1—C1—C2 | 116.35 (17) | C3—C8—H8C | 109.00 |
| O1—C1—O2 | 125.1 (2) | C12—C13—H13 | 121.00 |
| O2—C1—C2 | 118.56 (18) | C14—C13—H13 | 121.00 |
| C1—C2—C7 | 116.30 (17) | C10—C15—H15 | 120.00 |
| C3—C2—C7 | 120.91 (18) | C14—C15—H15 | 120.00 |
| C1—C2—C3 | 122.78 (17) | C11—C16—H16B | 109.00 |
| C4—C3—C8 | 121.0 (2) | C11—C16—H16C | 109.00 |
| C2—C3—C8 | 123.86 (19) | H16A—C16—H16C | 109.00 |
| C2—C3—C4 | 115.0 (2) | H16B—C16—H16C | 109.00 |
| N1—C4—C3 | 119.3 (2) | H16A—C16—H16B | 109.00 |
| N1—C4—C5 | 115.5 (2) | C11—C16—H16A | 109.00 |
| C3—C4—C5 | 125.2 (2) | ||
| O7—Cu1—O1—C1 | 83.36 (17) | O2—C1—C2—C3 | 9.2 (3) |
| O8—Cu1—O1—C1 | −84.20 (17) | O2—C1—C2—C7 | −170.12 (19) |
| O13—Cu1—O1—C1 | 175.84 (17) | C1—C2—C3—C4 | −175.44 (18) |
| O1—Cu1—O7—C9 | −88.62 (17) | C1—C2—C3—C8 | 9.3 (3) |
| O13—Cu1—O7—C9 | 175.36 (17) | C7—C2—C3—C4 | 3.8 (3) |
| O2i—Cu1—O7—C9 | 78.51 (17) | C7—C2—C3—C8 | −171.5 (2) |
| O1—Cu1—O8—C9i | 87.39 (18) | C1—C2—C7—C6 | 178.87 (19) |
| O13—Cu1—O8—C9i | −176.78 (17) | C3—C2—C7—C6 | −0.4 (3) |
| O2i—Cu1—O8—C9i | −79.83 (17) | C2—C3—C4—N1 | 172.73 (19) |
| O7—Cu1—O2i—C1i | −84.61 (18) | C2—C3—C4—C5 | −5.4 (3) |
| O8—Cu1—O2i—C1i | 82.62 (18) | C8—C3—C4—N1 | −11.8 (3) |
| O13—Cu1—O2i—C1i | −177.22 (17) | C8—C3—C4—C5 | 170.1 (2) |
| Cu1—O1—C1—O2 | 1.7 (3) | N1—C4—C5—C6 | −175.0 (2) |
| Cu1—O1—C1—C2 | −176.21 (13) | C3—C4—C5—C6 | 3.2 (4) |
| Cu1i—O2—C1—O1 | −1.3 (3) | C4—C5—C6—N2 | −179.9 (2) |
| Cu1i—O2—C1—C2 | 176.49 (13) | C4—C5—C6—C7 | 0.8 (3) |
| Cu1—O7—C9—C10 | −177.24 (13) | N2—C6—C7—C2 | 178.63 (19) |
| Cu1—O7—C9—O8i | 2.8 (3) | C5—C6—C7—C2 | −2.0 (3) |
| Cu1—O8—C9i—O7i | 0.1 (3) | O7—C9—C10—C11 | 48.5 (3) |
| Cu1—O8—C9i—C10i | −179.93 (13) | O7—C9—C10—C15 | −135.9 (2) |
| O3—N1—C4—C3 | −49.7 (3) | O8i—C9—C10—C11 | −131.5 (2) |
| O3—N1—C4—C5 | 128.6 (3) | O8i—C9—C10—C15 | 44.1 (2) |
| O4—N1—C4—C3 | 133.4 (3) | C9—C10—C11—C12 | 170.77 (18) |
| O4—N1—C4—C5 | −48.3 (3) | C9—C10—C11—C16 | −10.4 (3) |
| O5—N2—C6—C5 | 8.0 (3) | C15—C10—C11—C12 | −4.6 (3) |
| O5—N2—C6—C7 | −172.6 (2) | C15—C10—C11—C16 | 174.3 (2) |
| O6—N2—C6—C5 | −172.8 (3) | C9—C10—C15—C14 | −174.02 (17) |
| O6—N2—C6—C7 | 6.6 (3) | C11—C10—C15—C14 | 1.7 (3) |
| O9—N3—C12—C11 | 39.4 (3) | C10—C11—C12—N3 | −173.40 (18) |
| O9—N3—C12—C13 | −138.8 (2) | C10—C11—C12—C13 | 4.5 (3) |
| O10—N3—C12—C11 | −143.2 (2) | C16—C11—C12—N3 | 7.7 (3) |
| O10—N3—C12—C13 | 38.7 (3) | C16—C11—C12—C13 | −174.4 (2) |
| O11—N4—C14—C13 | 15.9 (4) | N3—C12—C13—C14 | 176.69 (18) |
| O11—N4—C14—C15 | −162.9 (2) | C11—C12—C13—C14 | −1.3 (3) |
| O12—N4—C14—C13 | −165.0 (2) | C12—C13—C14—N4 | 179.2 (2) |
| O12—N4—C14—C15 | 16.2 (3) | C12—C13—C14—C15 | −2.1 (3) |
| O1—C1—C2—C3 | −172.83 (19) | N4—C14—C15—C10 | −179.30 (19) |
| O1—C1—C2—C7 | 7.9 (3) | C13—C14—C15—C10 | 1.9 (3) |
| H··· | ||||
| O13—H13A···O14ii | 0.80 (3) | 1.84 (3) | 2.641 (3) | 175 (3) |
| O13—H13B···O10iii | 0.77 (2) | 2.22 (2) | 2.838 (2) | 138 (3) |
| O14—H14A···O15iv | 0.81 (3) | 1.95 (3) | 2.758 (4) | 172 (3) |
| O14—H14B···O7 | 0.80 (3) | 2.51 (4) | 3.182 (3) | 143 (4) |
| O15—H15A···O12v | 0.83 (4) | 2.16 (4) | 2.953 (4) | 161 (4) |
| O15—H15B···O5vi | 0.84 (3) | 2.17 (2) | 2.996 (4) | 168 (4) |
| O15—H15B···O6vi | 0.84 (3) | 2.60 (4) | 3.273 (4) | 138 (4) |
| C15—H15···O5vii | 0.93 | 2.60 | 3.438 (3) | 150 |
Selected bond lengths (Å)
| Cu1—O1 | 1.9616 (16) |
| Cu1—O7 | 1.9749 (16) |
| Cu1—O8 | 1.9637 (15) |
| Cu1—O13 | 2.0914 (19) |
| Cu1—O2i | 1.9595 (16) |
Symmetry code: (i) .
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O13—H13 | 0.80 (3) | 1.84 (3) | 2.641 (3) | 175 (3) |
| O13—H13 | 0.77 (2) | 2.22 (2) | 2.838 (2) | 138 (3) |
| O14—H14 | 0.81 (3) | 1.95 (3) | 2.758 (4) | 172 (3) |
| O14—H14 | 0.80 (3) | 2.51 (4) | 3.182 (3) | 143 (4) |
| O15—H15 | 0.83 (4) | 2.16 (4) | 2.953 (4) | 161 (4) |
| O15—H15 | 0.84 (3) | 2.17 (2) | 2.996 (4) | 168 (4) |
| O15—H15 | 0.84 (3) | 2.60 (4) | 3.273 (4) | 138 (4) |
Symmetry codes: (ii) ; (iii) ; (iv) ; (v) ; (vi) .