| Literature DB >> 21588146 |
Chong-Zhen Mei1, Han-Lin Xiong, Peng Zhang.
Abstract
In the title compound, [Cu(C(14)H(8)O(5))(C(12)H(12)N(2))(H(2)O)](n), the Cu(II) ion is penta-coordinated in a square-pyramidal geometry. Two N atoms of the chelating 5,5'-dimethyl-2,2'-bipyridine (dbp) ligand and two O atoms of two different 2,2'-oxydibenzoic (odb) ligands occupy the basal plane while the water O atom completes the square-pyramidal geometry at the apical site. The non-water N(2)O(2) donor atoms are nearly coplanar, with a mean deviation from the least-squares plane of 0.0518 (11) Å and the Cu atom is displaced by 0.1507 (11) Å from this plane towards the apical water O atom. Further coordination via the 2,2'-oxydibenzoate anions forms a one-dimensional coordination polymer extending parallel to [010]. In the crystal structure, O-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional supra-molecular structure.Entities:
Year: 2010 PMID: 21588146 PMCID: PMC3007526 DOI: 10.1107/S160053681002622X
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cu(C14H8O5)(C12H12N2)(H2O)] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 2235 reflections |
| θ = 2.1–25.6° | |
| µ = 0.99 mm−1 | |
| β = 98.188 (3)° | Block, blue |
| 0.20 × 0.18 × 0.16 mm | |
| Bruker SMART APEXII CCD area-detector diffractometer | 4071 independent reflections |
| Radiation source: fine-focus sealed tube | 3150 reflections with |
| graphite | |
| ω scans | θmax = 25.0°, θmin = 2.3° |
| Absorption correction: multi-scan ( | |
| 12080 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-atom parameters constrained | |
| 4071 reflections | (Δ/σ)max = 0.001 |
| 318 parameters | Δρmax = 0.32 e Å−3 |
| 0 restraints | Δρmin = −0.22 e Å−3 |
| Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
| Refinement. Refinement of |
| Cu1 | 0.41788 (4) | 0.62384 (2) | 0.109714 (18) | 0.03306 (13) | |
| N1 | 0.3306 (3) | 0.65433 (15) | 0.00279 (13) | 0.0377 (6) | |
| N2 | 0.3278 (3) | 0.52235 (13) | 0.06863 (12) | 0.0323 (5) | |
| O1 | 0.4265 (2) | 0.93932 (11) | 0.19835 (11) | 0.0386 (5) | |
| O2 | 0.4863 (3) | 1.08114 (12) | 0.29366 (10) | 0.0418 (5) | |
| O3 | 0.1882 (3) | 1.09819 (15) | 0.29298 (12) | 0.0577 (6) | |
| O4 | 0.3634 (3) | 0.77983 (13) | 0.19838 (16) | 0.0715 (8) | |
| O5 | 0.5373 (3) | 0.72067 (11) | 0.12721 (11) | 0.0426 (5) | |
| O1W | 0.1358 (3) | 0.66083 (13) | 0.14824 (12) | 0.0539 (6) | |
| H1WA | 0.1690 | 0.7023 | 0.1708 | 0.065* | |
| H1WB | 0.0485 | 0.6448 | 0.1698 | 0.065* | |
| C1 | 0.3209 (4) | 1.08195 (16) | 0.26283 (15) | 0.0336 (7) | |
| C2 | 0.2924 (3) | 1.06403 (16) | 0.18006 (15) | 0.0299 (6) | |
| C3 | 0.1997 (4) | 1.11672 (18) | 0.13170 (17) | 0.0416 (7) | |
| H3 | 0.1522 | 1.1605 | 0.1510 | 0.050* | |
| C4 | 0.1763 (5) | 1.1054 (2) | 0.05493 (19) | 0.0591 (10) | |
| H4 | 0.1161 | 1.1419 | 0.0230 | 0.071* | |
| C5 | 0.2424 (5) | 1.0401 (3) | 0.02647 (19) | 0.0661 (11) | |
| H5 | 0.2284 | 1.0327 | −0.0250 | 0.079* | |
| C6 | 0.3294 (4) | 0.9855 (2) | 0.07367 (19) | 0.0532 (9) | |
| H6 | 0.3713 | 0.9407 | 0.0542 | 0.064* | |
| C7 | 0.3543 (3) | 0.99754 (17) | 0.15049 (16) | 0.0332 (7) | |
| C8 | 0.6009 (4) | 0.91544 (17) | 0.18894 (15) | 0.0319 (6) | |
| C9 | 0.7378 (4) | 0.97019 (18) | 0.19715 (17) | 0.0424 (8) | |
| H9 | 0.7110 | 1.0207 | 0.2076 | 0.051* | |
| C10 | 0.9132 (4) | 0.9495 (2) | 0.18986 (19) | 0.0504 (9) | |
| H10 | 1.0052 | 0.9860 | 0.1957 | 0.060* | |
| C11 | 0.9531 (4) | 0.8748 (2) | 0.17389 (18) | 0.0500 (9) | |
| H11 | 1.0716 | 0.8609 | 0.1687 | 0.060* | |
| C12 | 0.8167 (4) | 0.82106 (18) | 0.16569 (16) | 0.0396 (7) | |
| H12 | 0.8445 | 0.7708 | 0.1546 | 0.048* | |
| C13 | 0.6376 (3) | 0.83974 (17) | 0.17359 (14) | 0.0299 (6) | |
| C14 | 0.4984 (4) | 0.77630 (16) | 0.16651 (16) | 0.0327 (7) | |
| C15 | 0.3015 (5) | 0.8219 (2) | −0.1299 (2) | 0.0723 (12) | |
| H15A | 0.3508 | 0.8548 | −0.0894 | 0.108* | |
| H15B | 0.1830 | 0.8399 | −0.1509 | 0.108* | |
| H15C | 0.3802 | 0.8222 | −0.1677 | 0.108* | |
| C16 | 0.2864 (4) | 0.7414 (2) | −0.10098 (19) | 0.0529 (9) | |
| C17 | 0.2245 (5) | 0.6804 (3) | −0.14685 (19) | 0.0643 (11) | |
| H17 | 0.1899 | 0.6886 | −0.1978 | 0.077* | |
| C18 | 0.2136 (4) | 0.6083 (2) | −0.11798 (18) | 0.0552 (9) | |
| H18 | 0.1712 | 0.5678 | −0.1491 | 0.066* | |
| C19 | 0.2660 (4) | 0.59610 (19) | −0.04244 (16) | 0.0381 (7) | |
| C20 | 0.3397 (4) | 0.7244 (2) | −0.02617 (18) | 0.0474 (8) | |
| H20 | 0.3842 | 0.7639 | 0.0058 | 0.057* | |
| C21 | 0.2604 (4) | 0.52224 (18) | −0.00508 (16) | 0.0351 (7) | |
| C22 | 0.1926 (4) | 0.4554 (2) | −0.03889 (18) | 0.0482 (9) | |
| H22 | 0.1471 | 0.4551 | −0.0896 | 0.058* | |
| C23 | 0.1919 (4) | 0.38961 (19) | 0.0019 (2) | 0.0527 (9) | |
| H23 | 0.1453 | 0.3448 | −0.0212 | 0.063* | |
| C24 | 0.2601 (4) | 0.38895 (18) | 0.07754 (19) | 0.0452 (8) | |
| C25 | 0.2616 (5) | 0.3185 (2) | 0.1245 (2) | 0.0670 (11) | |
| H25A | 0.3677 | 0.3187 | 0.1617 | 0.100* | |
| H25B | 0.2637 | 0.2740 | 0.0933 | 0.100* | |
| H25C | 0.1544 | 0.3174 | 0.1486 | 0.100* | |
| C26 | 0.3266 (4) | 0.45785 (18) | 0.10777 (17) | 0.0404 (7) | |
| H26 | 0.3733 | 0.4592 | 0.1584 | 0.048* |
| Cu1 | 0.0383 (2) | 0.0272 (2) | 0.0334 (2) | −0.00240 (16) | 0.00395 (14) | −0.00399 (17) |
| N1 | 0.0390 (14) | 0.0389 (15) | 0.0359 (14) | −0.0015 (12) | 0.0077 (11) | 0.0017 (12) |
| N2 | 0.0340 (12) | 0.0318 (14) | 0.0316 (13) | −0.0041 (11) | 0.0064 (10) | −0.0061 (11) |
| O1 | 0.0331 (11) | 0.0267 (11) | 0.0592 (13) | 0.0026 (9) | 0.0180 (9) | 0.0021 (10) |
| O2 | 0.0402 (12) | 0.0403 (13) | 0.0417 (12) | 0.0130 (10) | −0.0054 (9) | −0.0067 (10) |
| O3 | 0.0453 (13) | 0.0819 (18) | 0.0500 (13) | 0.0019 (12) | 0.0210 (11) | −0.0035 (13) |
| O4 | 0.0533 (14) | 0.0459 (15) | 0.126 (2) | −0.0231 (12) | 0.0493 (15) | −0.0352 (15) |
| O5 | 0.0499 (12) | 0.0283 (11) | 0.0514 (13) | −0.0063 (10) | 0.0133 (10) | −0.0108 (10) |
| O1W | 0.0399 (12) | 0.0536 (15) | 0.0716 (16) | −0.0091 (11) | 0.0198 (11) | −0.0203 (13) |
| C1 | 0.0371 (17) | 0.0235 (15) | 0.0408 (17) | 0.0012 (13) | 0.0078 (14) | 0.0056 (14) |
| C2 | 0.0235 (13) | 0.0295 (16) | 0.0369 (16) | −0.0052 (12) | 0.0049 (11) | 0.0030 (13) |
| C3 | 0.0399 (16) | 0.0364 (18) | 0.0472 (18) | 0.0048 (15) | 0.0013 (14) | 0.0037 (15) |
| C4 | 0.056 (2) | 0.069 (3) | 0.047 (2) | 0.0104 (19) | −0.0089 (17) | 0.0112 (19) |
| C5 | 0.061 (2) | 0.098 (3) | 0.0355 (19) | −0.001 (2) | −0.0050 (17) | −0.007 (2) |
| C6 | 0.0492 (19) | 0.060 (2) | 0.051 (2) | −0.0011 (18) | 0.0081 (16) | −0.0185 (19) |
| C7 | 0.0255 (14) | 0.0331 (17) | 0.0407 (17) | −0.0081 (12) | 0.0034 (12) | 0.0026 (14) |
| C8 | 0.0298 (15) | 0.0320 (17) | 0.0351 (15) | −0.0048 (13) | 0.0086 (12) | 0.0002 (14) |
| C9 | 0.0422 (18) | 0.0319 (17) | 0.0544 (19) | −0.0101 (14) | 0.0115 (14) | −0.0043 (15) |
| C10 | 0.0339 (17) | 0.051 (2) | 0.066 (2) | −0.0191 (16) | 0.0065 (15) | 0.0003 (19) |
| C11 | 0.0255 (15) | 0.064 (2) | 0.060 (2) | −0.0004 (17) | 0.0041 (14) | 0.006 (2) |
| C12 | 0.0325 (16) | 0.0381 (18) | 0.0482 (18) | 0.0053 (14) | 0.0057 (13) | −0.0021 (15) |
| C13 | 0.0275 (15) | 0.0310 (16) | 0.0308 (15) | 0.0000 (12) | 0.0027 (11) | −0.0025 (13) |
| C14 | 0.0323 (16) | 0.0254 (16) | 0.0395 (16) | 0.0004 (13) | 0.0015 (13) | −0.0001 (14) |
| C15 | 0.070 (2) | 0.075 (3) | 0.070 (3) | −0.008 (2) | 0.005 (2) | 0.034 (2) |
| C16 | 0.0409 (18) | 0.067 (2) | 0.051 (2) | −0.0076 (18) | 0.0062 (15) | 0.0202 (19) |
| C17 | 0.059 (2) | 0.092 (3) | 0.039 (2) | −0.020 (2) | −0.0020 (16) | 0.014 (2) |
| C18 | 0.057 (2) | 0.069 (3) | 0.0380 (19) | −0.0188 (19) | 0.0025 (16) | −0.0017 (18) |
| C19 | 0.0316 (16) | 0.050 (2) | 0.0341 (16) | −0.0065 (14) | 0.0096 (13) | −0.0049 (15) |
| C20 | 0.0485 (19) | 0.048 (2) | 0.0455 (19) | −0.0052 (16) | 0.0052 (15) | 0.0036 (17) |
| C21 | 0.0258 (14) | 0.0451 (19) | 0.0357 (17) | −0.0042 (13) | 0.0090 (12) | −0.0073 (15) |
| C22 | 0.0474 (19) | 0.058 (2) | 0.0389 (18) | −0.0118 (17) | 0.0065 (14) | −0.0176 (18) |
| C23 | 0.056 (2) | 0.038 (2) | 0.064 (2) | −0.0134 (16) | 0.0109 (17) | −0.0206 (18) |
| C24 | 0.0435 (18) | 0.0355 (19) | 0.058 (2) | −0.0045 (15) | 0.0119 (15) | −0.0116 (16) |
| C25 | 0.083 (3) | 0.034 (2) | 0.082 (3) | −0.0090 (19) | 0.008 (2) | −0.003 (2) |
| C26 | 0.0398 (16) | 0.0388 (19) | 0.0421 (18) | −0.0015 (15) | 0.0046 (13) | −0.0065 (16) |
| Cu1—O5 | 1.915 (2) | C9—H9 | 0.9300 |
| Cu1—O2i | 1.9370 (19) | C10—C11 | 1.377 (5) |
| Cu1—N2 | 2.000 (2) | C10—H10 | 0.9300 |
| Cu1—N1 | 2.018 (2) | C11—C12 | 1.374 (4) |
| Cu1—O1W | 2.388 (2) | C11—H11 | 0.9300 |
| N1—C20 | 1.336 (4) | C12—C13 | 1.396 (4) |
| N1—C19 | 1.349 (4) | C12—H12 | 0.9300 |
| N2—C26 | 1.331 (4) | C13—C14 | 1.508 (4) |
| N2—C21 | 1.353 (4) | C15—C16 | 1.510 (5) |
| O1—C7 | 1.392 (3) | C15—H15A | 0.9600 |
| O1—C8 | 1.394 (3) | C15—H15B | 0.9600 |
| O2—C1 | 1.274 (3) | C15—H15C | 0.9600 |
| O2—Cu1ii | 1.9371 (19) | C16—C20 | 1.384 (4) |
| O3—C1 | 1.225 (3) | C16—C17 | 1.388 (5) |
| O4—C14 | 1.226 (3) | C17—C18 | 1.371 (5) |
| O5—C14 | 1.261 (3) | C17—H17 | 0.9300 |
| O1W—H1WA | 0.8500 | C18—C19 | 1.380 (4) |
| O1W—H1WB | 0.8500 | C18—H18 | 0.9300 |
| C1—C2 | 1.512 (4) | C19—C21 | 1.460 (4) |
| C2—C3 | 1.383 (4) | C20—H20 | 0.9300 |
| C2—C7 | 1.384 (4) | C21—C22 | 1.380 (4) |
| C3—C4 | 1.386 (4) | C22—C23 | 1.366 (5) |
| C3—H3 | 0.9300 | C22—H22 | 0.9300 |
| C4—C5 | 1.370 (5) | C23—C24 | 1.387 (5) |
| C4—H4 | 0.9300 | C23—H23 | 0.9300 |
| C5—C6 | 1.378 (5) | C24—C26 | 1.384 (4) |
| C5—H5 | 0.9300 | C24—C25 | 1.494 (5) |
| C6—C7 | 1.389 (4) | C25—H25A | 0.9600 |
| C6—H6 | 0.9300 | C25—H25B | 0.9600 |
| C8—C13 | 1.386 (4) | C25—H25C | 0.9600 |
| C8—C9 | 1.388 (4) | C26—H26 | 0.9300 |
| C9—C10 | 1.376 (4) | ||
| O5—Cu1—O2i | 95.15 (8) | C12—C11—H11 | 120.2 |
| O5—Cu1—N2 | 165.19 (9) | C10—C11—H11 | 120.2 |
| O2i—Cu1—N2 | 93.03 (9) | C11—C12—C13 | 121.8 (3) |
| O5—Cu1—N1 | 90.14 (10) | C11—C12—H12 | 119.1 |
| O2i—Cu1—N1 | 171.74 (10) | C13—C12—H12 | 119.1 |
| N2—Cu1—N1 | 80.48 (10) | C8—C13—C12 | 117.4 (3) |
| O5—Cu1—O1W | 96.74 (8) | C8—C13—C14 | 124.5 (2) |
| O2i—Cu1—O1W | 93.83 (8) | C12—C13—C14 | 118.1 (3) |
| N2—Cu1—O1W | 95.01 (8) | O4—C14—O5 | 124.8 (3) |
| N1—Cu1—O1W | 91.83 (9) | O4—C14—C13 | 121.3 (3) |
| C20—N1—C19 | 119.2 (3) | O5—C14—C13 | 113.9 (2) |
| C20—N1—Cu1 | 126.1 (2) | C16—C15—H15A | 109.5 |
| C19—N1—Cu1 | 114.7 (2) | C16—C15—H15B | 109.5 |
| C26—N2—C21 | 119.4 (3) | H15A—C15—H15B | 109.5 |
| C26—N2—Cu1 | 125.53 (19) | C16—C15—H15C | 109.5 |
| C21—N2—Cu1 | 115.0 (2) | H15A—C15—H15C | 109.5 |
| C7—O1—C8 | 115.2 (2) | H15B—C15—H15C | 109.5 |
| C1—O2—Cu1ii | 126.63 (18) | C20—C16—C17 | 116.2 (3) |
| C14—O5—Cu1 | 129.49 (18) | C20—C16—C15 | 120.8 (4) |
| Cu1—O1W—H1WA | 99.4 | C17—C16—C15 | 123.0 (3) |
| Cu1—O1W—H1WB | 143.3 | C18—C17—C16 | 120.8 (3) |
| H1WA—O1W—H1WB | 104.5 | C18—C17—H17 | 119.6 |
| O3—C1—O2 | 126.5 (3) | C16—C17—H17 | 119.6 |
| O3—C1—C2 | 118.6 (3) | C17—C18—C19 | 119.6 (3) |
| O2—C1—C2 | 114.8 (2) | C17—C18—H18 | 120.2 |
| C3—C2—C7 | 118.6 (3) | C19—C18—H18 | 120.2 |
| C3—C2—C1 | 118.2 (3) | N1—C19—C18 | 120.5 (3) |
| C7—C2—C1 | 123.2 (3) | N1—C19—C21 | 114.7 (2) |
| C2—C3—C4 | 121.1 (3) | C18—C19—C21 | 124.8 (3) |
| C2—C3—H3 | 119.5 | N1—C20—C16 | 123.7 (3) |
| C4—C3—H3 | 119.5 | N1—C20—H20 | 118.1 |
| C5—C4—C3 | 119.5 (3) | C16—C20—H20 | 118.1 |
| C5—C4—H4 | 120.2 | N2—C21—C22 | 119.8 (3) |
| C3—C4—H4 | 120.2 | N2—C21—C19 | 115.0 (3) |
| C4—C5—C6 | 120.4 (3) | C22—C21—C19 | 125.2 (3) |
| C4—C5—H5 | 119.8 | C23—C22—C21 | 120.2 (3) |
| C6—C5—H5 | 119.8 | C23—C22—H22 | 119.9 |
| C5—C6—C7 | 119.8 (3) | C21—C22—H22 | 119.9 |
| C5—C6—H6 | 120.1 | C22—C23—C24 | 120.6 (3) |
| C7—C6—H6 | 120.1 | C22—C23—H23 | 119.7 |
| C2—C7—C6 | 120.5 (3) | C24—C23—H23 | 119.7 |
| C2—C7—O1 | 119.6 (2) | C26—C24—C23 | 116.2 (3) |
| C6—C7—O1 | 119.6 (3) | C26—C24—C25 | 121.3 (3) |
| C13—C8—C9 | 121.2 (3) | C23—C24—C25 | 122.5 (3) |
| C13—C8—O1 | 121.5 (2) | C24—C25—H25A | 109.5 |
| C9—C8—O1 | 117.3 (3) | C24—C25—H25B | 109.5 |
| C10—C9—C8 | 119.8 (3) | H25A—C25—H25B | 109.5 |
| C10—C9—H9 | 120.1 | C24—C25—H25C | 109.5 |
| C8—C9—H9 | 120.1 | H25A—C25—H25C | 109.5 |
| C9—C10—C11 | 120.3 (3) | H25B—C25—H25C | 109.5 |
| C9—C10—H10 | 119.9 | N2—C26—C24 | 123.8 (3) |
| C11—C10—H10 | 119.9 | N2—C26—H26 | 118.1 |
| C12—C11—C10 | 119.5 (3) | C24—C26—H26 | 118.1 |
| O5—Cu1—N1—C20 | −10.9 (3) | C10—C11—C12—C13 | −0.4 (5) |
| N2—Cu1—N1—C20 | −179.3 (3) | C9—C8—C13—C12 | −0.9 (4) |
| O1W—Cu1—N1—C20 | 85.9 (3) | O1—C8—C13—C12 | −179.5 (2) |
| O5—Cu1—N1—C19 | 165.91 (19) | C9—C8—C13—C14 | 177.8 (3) |
| N2—Cu1—N1—C19 | −2.56 (19) | O1—C8—C13—C14 | −0.8 (4) |
| O1W—Cu1—N1—C19 | −97.33 (19) | C11—C12—C13—C8 | 1.0 (4) |
| O5—Cu1—N2—C26 | 131.0 (3) | C11—C12—C13—C14 | −177.7 (3) |
| O2i—Cu1—N2—C26 | 7.5 (2) | Cu1—O5—C14—O4 | −4.9 (4) |
| N1—Cu1—N2—C26 | −177.6 (2) | Cu1—O5—C14—C13 | 173.43 (17) |
| O1W—Cu1—N2—C26 | −86.6 (2) | C8—C13—C14—O4 | −26.1 (4) |
| O5—Cu1—N2—C21 | −50.3 (4) | C12—C13—C14—O4 | 152.6 (3) |
| O2i—Cu1—N2—C21 | −173.76 (19) | C8—C13—C14—O5 | 155.5 (3) |
| N1—Cu1—N2—C21 | 1.10 (18) | C12—C13—C14—O5 | −25.8 (4) |
| O1W—Cu1—N2—C21 | 92.12 (19) | C20—C16—C17—C18 | 1.6 (5) |
| O2i—Cu1—O5—C14 | −76.3 (3) | C15—C16—C17—C18 | 179.9 (3) |
| N2—Cu1—O5—C14 | 160.5 (3) | C16—C17—C18—C19 | −0.4 (5) |
| N1—Cu1—O5—C14 | 110.1 (3) | C20—N1—C19—C18 | 1.4 (4) |
| O1W—Cu1—O5—C14 | 18.2 (3) | Cu1—N1—C19—C18 | −175.6 (2) |
| Cu1ii—O2—C1—O3 | −13.0 (4) | C20—N1—C19—C21 | −179.5 (3) |
| Cu1ii—O2—C1—C2 | 164.26 (18) | Cu1—N1—C19—C21 | 3.5 (3) |
| O3—C1—C2—C3 | 53.5 (4) | C17—C18—C19—N1 | −1.2 (5) |
| O2—C1—C2—C3 | −124.0 (3) | C17—C18—C19—C21 | 179.9 (3) |
| O3—C1—C2—C7 | −126.4 (3) | C19—N1—C20—C16 | −0.2 (5) |
| O2—C1—C2—C7 | 56.2 (4) | Cu1—N1—C20—C16 | 176.5 (2) |
| C7—C2—C3—C4 | −3.1 (4) | C17—C16—C20—N1 | −1.3 (5) |
| C1—C2—C3—C4 | 177.0 (3) | C15—C16—C20—N1 | −179.6 (3) |
| C2—C3—C4—C5 | 1.5 (5) | C26—N2—C21—C22 | −0.4 (4) |
| C3—C4—C5—C6 | 0.9 (6) | Cu1—N2—C21—C22 | −179.2 (2) |
| C4—C5—C6—C7 | −1.6 (5) | C26—N2—C21—C19 | 179.2 (2) |
| C3—C2—C7—C6 | 2.4 (4) | Cu1—N2—C21—C19 | 0.4 (3) |
| C1—C2—C7—C6 | −177.8 (3) | N1—C19—C21—N2 | −2.6 (4) |
| C3—C2—C7—O1 | −171.6 (2) | C18—C19—C21—N2 | 176.4 (3) |
| C1—C2—C7—O1 | 8.3 (4) | N1—C19—C21—C22 | 177.0 (3) |
| C5—C6—C7—C2 | 0.0 (5) | C18—C19—C21—C22 | −4.0 (5) |
| C5—C6—C7—O1 | 173.9 (3) | N2—C21—C22—C23 | 0.5 (4) |
| C8—O1—C7—C2 | −125.2 (3) | C19—C21—C22—C23 | −179.1 (3) |
| C8—O1—C7—C6 | 60.8 (3) | C21—C22—C23—C24 | −0.4 (5) |
| C7—O1—C8—C13 | −123.0 (3) | C22—C23—C24—C26 | 0.1 (5) |
| C7—O1—C8—C9 | 58.4 (3) | C22—C23—C24—C25 | 179.8 (3) |
| C13—C8—C9—C10 | 0.2 (4) | C21—N2—C26—C24 | 0.1 (4) |
| O1—C8—C9—C10 | 178.8 (3) | Cu1—N2—C26—C24 | 178.8 (2) |
| C8—C9—C10—C11 | 0.5 (5) | C23—C24—C26—N2 | 0.0 (5) |
| C9—C10—C11—C12 | −0.4 (5) | C25—C24—C26—N2 | −179.7 (3) |
| H··· | ||||
| O1W—H1WA···O4 | 0.85 | 1.99 | 2.750 (3) | 148 |
| O1W—H1WB···O3iii | 0.85 | 2.13 | 2.972 (3) | 171 |
| Cu1—O5 | 1.915 (2) |
| Cu1—O2i | 1.9370 (19) |
| Cu1—N2 | 2.000 (2) |
| Cu1—N1 | 2.018 (2) |
| Cu1—O1 | 2.388 (2) |
| O2—Cu1ii | 1.9371 (19) |
| O5—Cu1—O2i | 95.15 (8) |
| O5—Cu1—N2 | 165.19 (9) |
| O2i—Cu1—N2 | 93.03 (9) |
| O5—Cu1—N1 | 90.14 (10) |
| O2i—Cu1—N1 | 171.74 (10) |
| N2—Cu1—N1 | 80.48 (10) |
| O5—Cu1—O1 | 96.74 (8) |
| O2i—Cu1—O1 | 93.83 (8) |
| N2—Cu1—O1 | 95.01 (8) |
| N1—Cu1—O1 | 91.83 (9) |
Symmetry codes: (i) ; (ii) .
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O1 | 0.85 | 1.99 | 2.750 (3) | 148 |
| O1 | 0.85 | 2.13 | 2.972 (3) | 171 |
Symmetry code: (iii) .