| Literature DB >> 21200640 |
Wen-Dong Song, Yi-Ling Wan, Peng-Zhi Hong, Seik Weng Ng.
Abstract
In the title compound, [Ni(2)(C(16)H(18)FN(3)O(3))(2)(H(2)O)(4)](OH)(NO(3)), the cationic [Ni(2)(C(16)H(18)FN(3)O(3))(2)(H(2)O)(4)](2+) building units are linked through Ni-O(carboxyl-ate) and Ni-N(amino) bridges into a layer structure. The two independent nickel atoms lie on inversion centres: one adopts an NiO(6) octa-hedral geometry, the other a trans-NiN(2)O(4) octahedral arrangement. The charge-balancing hydroxide and nitrate ions are of half site occupancy each. A network of O-H⋯O and N-H⋯O hydrogen bonds helps to establish the packing.Entities:
Year: 2007 PMID: 21200640 PMCID: PMC2914950 DOI: 10.1107/S1600536807062885
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Ni2(C16H18FN3O3)2(H2O)4](NO3)(OH) | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 2076 reflections | |
| θ = 2.6–28.0° | |
| µ = 1.07 mm−1 | |
| α = 101.504 (2)° | |
| β = 106.301 (2)° | Block, blue |
| γ = 113.528 (2)° | 0.18 × 0.16 × 0.15 mm |
| Bruker APEXII diffractometer | 4304 independent reflections |
| Radiation source: medium-focus sealed tube | 2869 reflections with |
| graphite | |
| φ and ω scans | θmax = 27.5°, θmin = 2.6° |
| Absorption correction: multi-scan ( | |
| 11320 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 | |
| 4304 reflections | (Δ/σ)max = 0.001 |
| 280 parameters | Δρmax = 1.65 e Å−3 |
| 34 restraints | Δρmin = −0.59 e Å−3 |
| Occ. (<1) | |||||
| Ni1 | 0.5000 | 0.5000 | 0.5000 | 0.0328 (3) | |
| Ni2 | 1.0000 | 1.0000 | 0.5000 | 0.0362 (3) | |
| F1 | 0.8924 (5) | 1.1417 (4) | 0.0053 (3) | 0.0597 (10) | |
| O1 | 0.5117 (4) | 0.6049 (4) | 0.3832 (3) | 0.0403 (9) | |
| O2 | 0.7870 (5) | 0.8001 (5) | 0.4694 (3) | 0.0522 (11) | |
| O3 | 0.9054 (5) | 0.9832 (5) | 0.3374 (3) | 0.0450 (10) | |
| O1w | 0.7762 (5) | 0.5892 (5) | 0.5746 (3) | 0.0516 (10) | |
| H1w1 | 0.8119 | 0.6231 | 0.6459 | 0.077* | |
| H1w2 | 0.8280 | 0.6650 | 0.5537 | 0.077* | |
| O2w | 1.4635 (5) | 0.9364 (5) | 0.4764 (3) | 0.079 (3) | 0.50 |
| H2w | 1.4173 | 0.8742 | 0.4083 | 0.118* | 0.50 |
| O3w | 1.1392 (8) | 0.8776 (7) | 0.4696 (5) | 0.0892 (17) | |
| H3w1 | 1.2209 | 0.9326 | 0.4513 | 0.134* | |
| H3w2 | 1.0678 | 0.7887 | 0.4163 | 0.134* | |
| N1 | 0.4068 (5) | 0.6750 (5) | 0.0911 (3) | 0.0353 (9) | |
| N2 | 0.5693 (6) | 0.9176 (6) | −0.1764 (3) | 0.0445 (11) | |
| H2n | 0.5624 | 1.0037 | −0.1616 | 0.053* | |
| N3 | 0.5140 (6) | 0.7018 (5) | −0.3881 (4) | 0.0399 (10) | |
| H3n | 0.4886 | 0.7535 | −0.4294 | 0.048* | |
| C1 | 0.6428 (6) | 0.7216 (6) | 0.3853 (4) | 0.0355 (11) | |
| C2 | 0.6166 (6) | 0.7618 (6) | 0.2808 (4) | 0.0343 (11) | |
| C3 | 0.4548 (7) | 0.6655 (6) | 0.1942 (4) | 0.0372 (11) | |
| H3 | 0.3704 | 0.5865 | 0.2075 | 0.045* | |
| C4 | 0.7510 (6) | 0.8857 (6) | 0.2651 (4) | 0.0330 (10) | |
| C5 | 0.6994 (6) | 0.8949 (6) | 0.1519 (4) | 0.0324 (10) | |
| C6 | 0.8197 (7) | 1.0130 (6) | 0.1263 (4) | 0.0378 (11) | |
| H6 | 0.9307 | 1.0882 | 0.1824 | 0.045* | |
| C7 | 0.7757 (7) | 1.0182 (6) | 0.0216 (4) | 0.0400 (12) | |
| C8 | 0.6112 (7) | 0.9076 (6) | −0.0698 (4) | 0.0367 (11) | |
| C9 | 0.4899 (7) | 0.7932 (6) | −0.0432 (4) | 0.0360 (11) | |
| H9 | 0.3790 | 0.7186 | −0.0996 | 0.043* | |
| C10 | 0.5301 (6) | 0.7878 (6) | 0.0651 (4) | 0.0328 (10) | |
| C11 | 0.2248 (7) | 0.5575 (7) | 0.0058 (5) | 0.0445 (13) | |
| H11A | 0.1846 | 0.6056 | −0.0457 | 0.053* | |
| H11B | 0.1444 | 0.5287 | 0.0434 | 0.053* | |
| C12 | 0.2190 (9) | 0.4110 (8) | −0.0597 (6) | 0.0684 (19) | |
| H12A | 0.0997 | 0.3378 | −0.1137 | 0.103* | |
| H12B | 0.2569 | 0.3622 | −0.0091 | 0.103* | |
| H12C | 0.2965 | 0.4389 | −0.0984 | 0.103* | |
| C13 | 0.6999 (9) | 0.9619 (7) | −0.2271 (5) | 0.0551 (16) | |
| H13A | 0.8181 | 1.0297 | −0.1679 | 0.066* | |
| H13B | 0.6758 | 1.0214 | −0.2739 | 0.066* | |
| C14 | 0.6927 (7) | 0.8160 (7) | −0.2977 (4) | 0.0481 (14) | |
| H14A | 0.7776 | 0.8489 | −0.3319 | 0.058* | |
| H14B | 0.7280 | 0.7627 | −0.2490 | 0.058* | |
| C15 | 0.3826 (7) | 0.6632 (7) | −0.3352 (4) | 0.0431 (12) | |
| H15A | 0.4053 | 0.6045 | −0.2873 | 0.052* | |
| H15B | 0.2638 | 0.5959 | −0.3938 | 0.052* | |
| C16 | 0.3921 (8) | 0.8111 (8) | −0.2659 (5) | 0.0489 (14) | |
| H16A | 0.3623 | 0.8665 | −0.3147 | 0.059* | |
| H16B | 0.3056 | 0.7812 | −0.2327 | 0.059* | |
| O4 | 0.9439 (11) | 0.5634 (8) | 0.7796 (6) | 0.0490 (19) | 0.50 |
| O5 | 1.0325 (17) | 0.4310 (17) | 0.6823 (12) | 0.126 (5) | 0.50 |
| O6 | 0.8282 (11) | 0.3095 (10) | 0.7300 (8) | 0.063 (2) | 0.50 |
| N4 | 0.9354 (9) | 0.4383 (9) | 0.7316 (5) | 0.046 (2) | 0.50 |
| Ni1 | 0.0328 (5) | 0.0316 (5) | 0.0269 (5) | 0.0082 (4) | 0.0117 (4) | 0.0128 (4) |
| Ni2 | 0.0337 (5) | 0.0332 (5) | 0.0259 (5) | 0.0042 (4) | 0.0075 (4) | 0.0122 (4) |
| F1 | 0.074 (2) | 0.0439 (19) | 0.0362 (17) | 0.0039 (17) | 0.0227 (16) | 0.0180 (15) |
| O1 | 0.0361 (19) | 0.040 (2) | 0.0340 (18) | 0.0079 (16) | 0.0113 (15) | 0.0198 (16) |
| O2 | 0.044 (2) | 0.050 (2) | 0.0309 (19) | −0.0013 (18) | 0.0047 (16) | 0.0212 (18) |
| O3 | 0.0351 (19) | 0.045 (2) | 0.0303 (18) | 0.0017 (17) | 0.0050 (15) | 0.0163 (17) |
| O1w | 0.041 (2) | 0.051 (2) | 0.053 (2) | 0.0136 (19) | 0.0144 (18) | 0.024 (2) |
| O2w | 0.069 (7) | 0.093 (9) | 0.067 (7) | 0.037 (7) | 0.024 (6) | 0.024 (7) |
| O3w | 0.084 (4) | 0.093 (4) | 0.094 (4) | 0.050 (3) | 0.034 (3) | 0.028 (3) |
| N1 | 0.029 (2) | 0.041 (2) | 0.029 (2) | 0.0115 (18) | 0.0106 (16) | 0.0132 (18) |
| N2 | 0.064 (3) | 0.041 (3) | 0.028 (2) | 0.024 (2) | 0.018 (2) | 0.015 (2) |
| N3 | 0.046 (3) | 0.035 (2) | 0.034 (2) | 0.013 (2) | 0.0175 (19) | 0.0142 (19) |
| C1 | 0.037 (3) | 0.037 (3) | 0.028 (2) | 0.013 (2) | 0.013 (2) | 0.014 (2) |
| C2 | 0.035 (3) | 0.035 (3) | 0.027 (2) | 0.012 (2) | 0.0110 (19) | 0.013 (2) |
| C3 | 0.037 (3) | 0.040 (3) | 0.037 (3) | 0.015 (2) | 0.019 (2) | 0.020 (2) |
| C4 | 0.036 (3) | 0.033 (3) | 0.029 (2) | 0.015 (2) | 0.013 (2) | 0.014 (2) |
| C5 | 0.035 (2) | 0.033 (3) | 0.027 (2) | 0.013 (2) | 0.0120 (19) | 0.013 (2) |
| C6 | 0.035 (3) | 0.035 (3) | 0.031 (2) | 0.009 (2) | 0.012 (2) | 0.009 (2) |
| C7 | 0.048 (3) | 0.033 (3) | 0.034 (3) | 0.012 (2) | 0.018 (2) | 0.015 (2) |
| C8 | 0.048 (3) | 0.039 (3) | 0.031 (2) | 0.025 (2) | 0.017 (2) | 0.017 (2) |
| C9 | 0.037 (3) | 0.035 (3) | 0.027 (2) | 0.014 (2) | 0.0076 (19) | 0.010 (2) |
| C10 | 0.036 (3) | 0.034 (3) | 0.029 (2) | 0.017 (2) | 0.0125 (19) | 0.012 (2) |
| C11 | 0.029 (3) | 0.056 (3) | 0.037 (3) | 0.014 (2) | 0.007 (2) | 0.017 (3) |
| C12 | 0.056 (4) | 0.046 (4) | 0.069 (5) | 0.011 (3) | 0.009 (3) | 0.004 (3) |
| C13 | 0.072 (4) | 0.039 (3) | 0.031 (3) | 0.006 (3) | 0.022 (3) | 0.012 (2) |
| C14 | 0.045 (3) | 0.044 (3) | 0.033 (3) | 0.002 (3) | 0.019 (2) | 0.007 (2) |
| C15 | 0.044 (3) | 0.047 (3) | 0.033 (3) | 0.020 (3) | 0.015 (2) | 0.009 (2) |
| C16 | 0.062 (4) | 0.067 (4) | 0.032 (3) | 0.043 (3) | 0.017 (3) | 0.021 (3) |
| O4 | 0.062 (5) | 0.030 (4) | 0.038 (4) | 0.019 (3) | 0.006 (3) | 0.005 (3) |
| O5 | 0.126 (8) | 0.116 (8) | 0.138 (8) | 0.022 (5) | 0.098 (7) | 0.060 (7) |
| O6 | 0.057 (5) | 0.046 (5) | 0.080 (6) | 0.016 (4) | 0.029 (4) | 0.026 (4) |
| N4 | 0.044 (5) | 0.058 (5) | 0.048 (5) | 0.026 (4) | 0.018 (4) | 0.037 (4) |
| Ni1—O1 | 2.022 (3) | C1—C2 | 1.492 (6) |
| Ni1—O1i | 2.022 (3) | C2—C3 | 1.359 (7) |
| Ni1—O1w | 2.103 (4) | C2—C4 | 1.430 (6) |
| Ni1—O1wi | 2.103 (4) | C3—H3 | 0.9300 |
| Ni1—N3ii | 2.157 (5) | C4—C5 | 1.468 (6) |
| Ni1—N3iii | 2.157 (5) | C5—C6 | 1.408 (6) |
| Ni2—O2 | 1.979 (4) | C5—C10 | 1.411 (7) |
| Ni2—O2iv | 1.979 (4) | C6—C7 | 1.345 (7) |
| Ni2—O3iv | 2.021 (3) | C6—H6 | 0.9300 |
| Ni2—O3 | 2.021 (3) | C7—C8 | 1.418 (7) |
| Ni2—O3wiv | 2.108 (6) | C8—C9 | 1.401 (7) |
| Ni2—O3w | 2.108 (6) | C9—C10 | 1.390 (6) |
| F1—C7 | 1.352 (6) | C9—H9 | 0.9300 |
| O1—C1 | 1.260 (6) | C11—C12 | 1.496 (10) |
| O2—C1 | 1.247 (6) | C11—H11A | 0.9700 |
| O3—C4 | 1.256 (6) | C11—H11B | 0.9700 |
| O1w—H1w1 | 0.8501 | C12—H12A | 0.9600 |
| O1w—H1w2 | 0.8500 | C12—H12B | 0.9600 |
| O2w—O2wv | 1.088 (8) | C12—H12C | 0.9600 |
| O2w—H2w | 0.8500 | C13—C14 | 1.511 (9) |
| O3w—H3w1 | 0.8501 | C13—H13A | 0.9700 |
| O3w—H3w2 | 0.8501 | C13—H13B | 0.9700 |
| N1—C3 | 1.343 (6) | C14—H14A | 0.9700 |
| N1—C10 | 1.398 (6) | C14—H14B | 0.9700 |
| N1—C11 | 1.486 (6) | C15—C16 | 1.509 (8) |
| N2—C8 | 1.387 (6) | C15—H15A | 0.9700 |
| N2—C16 | 1.463 (7) | C15—H15B | 0.9700 |
| N2—C13 | 1.469 (7) | C16—H16A | 0.9700 |
| N2—H2n | 0.8600 | C16—H16B | 0.9700 |
| N3—C14 | 1.485 (7) | O4—N4 | 1.225 (8) |
| N3—C15 | 1.493 (7) | O5—N4 | 1.241 (9) |
| N3—Ni1vi | 2.157 (5) | O6—N4 | 1.237 (8) |
| N3—H3n | 0.8600 | ||
| O1—Ni1—O1i | 180.000 (1) | N1—C3—H3 | 117.3 |
| O1—Ni1—O1w | 94.08 (14) | C2—C3—H3 | 117.3 |
| O1i—Ni1—O1w | 85.92 (14) | O3—C4—C2 | 126.4 (4) |
| O1—Ni1—O1wi | 85.92 (14) | O3—C4—C5 | 118.6 (4) |
| O1i—Ni1—O1wi | 94.08 (14) | C2—C4—C5 | 115.0 (4) |
| O1w—Ni1—O1wi | 180.0 | C6—C5—C10 | 117.4 (4) |
| O1—Ni1—N3iii | 89.36 (15) | C6—C5—C4 | 120.4 (4) |
| O1i—Ni1—N3iii | 90.64 (15) | C10—C5—C4 | 122.2 (4) |
| O1w—Ni1—N3iii | 87.36 (16) | C7—C6—C5 | 120.7 (5) |
| O1wi—Ni1—N3iii | 92.64 (16) | C7—C6—H6 | 119.7 |
| O1—Ni1—N3ii | 90.64 (15) | C5—C6—H6 | 119.7 |
| O1i—Ni1—N3ii | 89.36 (15) | C6—C7—F1 | 117.3 (5) |
| O1w—Ni1—N3ii | 92.64 (16) | C6—C7—C8 | 123.8 (4) |
| O1wi—Ni1—N3ii | 87.36 (16) | F1—C7—C8 | 118.8 (4) |
| N3iii—Ni1—N3ii | 180.0 (2) | N2—C8—C9 | 122.3 (5) |
| O2iv—Ni2—O2 | 180.0 | N2—C8—C7 | 122.3 (4) |
| O2iv—Ni2—O3iv | 91.12 (14) | C9—C8—C7 | 115.3 (4) |
| O2—Ni2—O3iv | 88.88 (14) | C10—C9—C8 | 122.0 (5) |
| O2iv—Ni2—O3 | 88.88 (14) | C10—C9—H9 | 119.0 |
| O2—Ni2—O3 | 91.12 (14) | C8—C9—H9 | 119.0 |
| O3iv—Ni2—O3 | 180.000 (1) | C9—C10—N1 | 121.5 (4) |
| O2iv—Ni2—O3wiv | 91.8 (2) | C9—C10—C5 | 120.7 (4) |
| O2—Ni2—O3wiv | 88.2 (2) | N1—C10—C5 | 117.8 (4) |
| O3iv—Ni2—O3wiv | 92.6 (2) | N1—C11—C12 | 111.7 (5) |
| O3—Ni2—O3wiv | 87.4 (2) | N1—C11—H11A | 109.3 |
| O2iv—Ni2—O3w | 88.2 (2) | C12—C11—H11A | 109.3 |
| O2—Ni2—O3w | 91.8 (2) | N1—C11—H11B | 109.3 |
| O3iv—Ni2—O3w | 87.4 (2) | C12—C11—H11B | 109.3 |
| O3—Ni2—O3w | 92.6 (2) | H11A—C11—H11B | 107.9 |
| O3wiv—Ni2—O3w | 180.000 (3) | C11—C12—H12A | 109.5 |
| C1—O1—Ni1 | 128.4 (3) | C11—C12—H12B | 109.5 |
| C1—O2—Ni2 | 130.1 (3) | H12A—C12—H12B | 109.5 |
| C4—O3—Ni2 | 125.3 (3) | C11—C12—H12C | 109.5 |
| Ni1—O1w—H1w1 | 109.5 | H12A—C12—H12C | 109.5 |
| Ni1—O1w—H1w2 | 109.5 | H12B—C12—H12C | 109.5 |
| H1w1—O1w—H1w2 | 109.5 | N2—C13—C14 | 110.9 (4) |
| O2wv—O2w—H2w | 138.4 | N2—C13—H13A | 109.5 |
| Ni2—O3w—H3w1 | 109.5 | C14—C13—H13A | 109.5 |
| Ni2—O3w—H3w2 | 109.4 | N2—C13—H13B | 109.5 |
| H3w1—O3w—H3w2 | 109.5 | C14—C13—H13B | 109.5 |
| C3—N1—C10 | 119.8 (4) | H13A—C13—H13B | 108.0 |
| C3—N1—C11 | 118.1 (4) | N3—C14—C13 | 113.3 (5) |
| C10—N1—C11 | 122.0 (4) | N3—C14—H14A | 108.9 |
| C8—N2—C16 | 120.9 (4) | C13—C14—H14A | 108.9 |
| C8—N2—C13 | 122.5 (5) | N3—C14—H14B | 108.9 |
| C16—N2—C13 | 109.1 (4) | C13—C14—H14B | 108.9 |
| C8—N2—H2n | 99.1 | H14A—C14—H14B | 107.7 |
| C16—N2—H2n | 99.1 | N3—C15—C16 | 111.8 (5) |
| C13—N2—H2n | 99.1 | N3—C15—H15A | 109.2 |
| C14—N3—C15 | 108.2 (4) | C16—C15—H15A | 109.2 |
| C14—N3—Ni1vi | 115.0 (4) | N3—C15—H15B | 109.2 |
| C15—N3—Ni1vi | 115.5 (3) | C16—C15—H15B | 109.2 |
| C14—N3—H3n | 105.7 | H15A—C15—H15B | 107.9 |
| C15—N3—H3n | 105.7 | N2—C16—C15 | 111.5 (5) |
| Ni1vi—N3—H3n | 105.7 | N2—C16—H16A | 109.3 |
| O2—C1—O1 | 122.5 (4) | C15—C16—H16A | 109.3 |
| O2—C1—C2 | 121.2 (4) | N2—C16—H16B | 109.3 |
| O1—C1—C2 | 116.2 (4) | C15—C16—H16B | 109.3 |
| C3—C2—C4 | 119.6 (4) | H16A—C16—H16B | 108.0 |
| C3—C2—C1 | 115.7 (4) | O4—N4—O6 | 121.5 (9) |
| C4—C2—C1 | 124.6 (4) | O4—N4—O5 | 123.2 (10) |
| N1—C3—C2 | 125.4 (4) | O6—N4—O5 | 115.3 (10) |
| O1w—Ni1—O1—C1 | −20.5 (5) | C4—C5—C6—C7 | 177.4 (5) |
| O1wi—Ni1—O1—C1 | 159.5 (5) | C5—C6—C7—F1 | 175.2 (5) |
| N3iii—Ni1—O1—C1 | −107.8 (5) | C5—C6—C7—C8 | −1.0 (9) |
| N3ii—Ni1—O1—C1 | 72.2 (5) | C16—N2—C8—C9 | 2.1 (8) |
| O3iv—Ni2—O2—C1 | 168.0 (5) | C13—N2—C8—C9 | −144.4 (5) |
| O3—Ni2—O2—C1 | −12.0 (5) | C16—N2—C8—C7 | −174.0 (5) |
| O3wiv—Ni2—O2—C1 | 75.3 (6) | C13—N2—C8—C7 | 39.5 (8) |
| O3w—Ni2—O2—C1 | −104.7 (6) | C6—C7—C8—N2 | 179.2 (5) |
| O2iv—Ni2—O3—C4 | −170.1 (5) | F1—C7—C8—N2 | 3.0 (8) |
| O2—Ni2—O3—C4 | 9.9 (5) | C6—C7—C8—C9 | 2.9 (8) |
| O3wiv—Ni2—O3—C4 | −78.3 (5) | F1—C7—C8—C9 | −173.3 (5) |
| O3w—Ni2—O3—C4 | 101.7 (5) | N2—C8—C9—C10 | −177.4 (5) |
| Ni2—O2—C1—O1 | −172.1 (4) | C7—C8—C9—C10 | −1.0 (8) |
| Ni2—O2—C1—C2 | 7.9 (8) | C8—C9—C10—N1 | 178.8 (5) |
| Ni1—O1—C1—O2 | −6.5 (8) | C8—C9—C10—C5 | −2.6 (8) |
| Ni1—O1—C1—C2 | 173.5 (3) | C3—N1—C10—C9 | 174.9 (5) |
| O2—C1—C2—C3 | 178.7 (5) | C11—N1—C10—C9 | −1.6 (8) |
| O1—C1—C2—C3 | −1.2 (7) | C3—N1—C10—C5 | −3.7 (7) |
| O2—C1—C2—C4 | 2.5 (8) | C11—N1—C10—C5 | 179.7 (5) |
| O1—C1—C2—C4 | −177.5 (5) | C6—C5—C10—C9 | 4.4 (7) |
| C10—N1—C3—C2 | 2.2 (8) | C4—C5—C10—C9 | −175.7 (5) |
| C11—N1—C3—C2 | 178.9 (5) | C6—C5—C10—N1 | −177.0 (5) |
| C4—C2—C3—N1 | 0.3 (9) | C4—C5—C10—N1 | 3.0 (7) |
| C1—C2—C3—N1 | −176.1 (5) | C3—N1—C11—C12 | −89.1 (6) |
| Ni2—O3—C4—C2 | −4.4 (8) | C10—N1—C11—C12 | 87.5 (6) |
| Ni2—O3—C4—C5 | 176.5 (3) | C8—N2—C13—C14 | 92.7 (6) |
| C3—C2—C4—O3 | 179.8 (5) | C16—N2—C13—C14 | −57.2 (6) |
| C1—C2—C4—O3 | −4.1 (9) | C15—N3—C14—C13 | −53.8 (5) |
| C3—C2—C4—C5 | −1.0 (7) | Ni1vi—N3—C14—C13 | 175.4 (3) |
| C1—C2—C4—C5 | 175.1 (5) | N2—C13—C14—N3 | 56.8 (6) |
| O3—C4—C5—C6 | −1.4 (8) | C14—N3—C15—C16 | 54.0 (6) |
| C2—C4—C5—C6 | 179.3 (5) | Ni1vi—N3—C15—C16 | −175.4 (3) |
| O3—C4—C5—C10 | 178.6 (5) | C8—N2—C16—C15 | −91.7 (6) |
| C2—C4—C5—C10 | −0.7 (7) | C13—N2—C16—C15 | 58.7 (6) |
| C10—C5—C6—C7 | −2.6 (8) | N3—C15—C16—N2 | −58.6 (6) |
| H··· | ||||
| O1w—H1w1···O4 | 0.85 | 2.16 | 2.820 (8) | 135 |
| O1w—H1w2···O2 | 0.85 | 1.97 | 2.700 (5) | 143 |
| O2w—H2w···O6vii | 0.85 | 2.17 | 2.90 (1) | 145 |
| O3w—H3w1···O2w | 0.85 | 2.09 | 2.699 (7) | 128 |
| O3w—H3w2···O5vii | 0.85 | 1.96 | 2.77 (2) | 161 |
| N3—H3n···O2wviii | 0.86 | 2.43 | 3.277 (6) | 171 |
Selected bond lengths (Å)
| Ni1—O1 | 2.022 (3) |
| Ni1—O1 | 2.103 (4) |
| Ni1—N3i | 2.157 (5) |
| Ni2—O2 | 1.979 (4) |
| Ni2—O3 | 2.021 (3) |
| Ni2—O3 | 2.108 (6) |
Symmetry code: (i) .