| Literature DB >> 21754305 |
Abstract
In the cation of the title compound, [Co(C(2)H(8)N(2))(3)][In(C(2)O(4))(2)(CHO(2))(2)]·2H(2)O, the Co-N bond lengths lie in the range 1.960 (5)-1.997 (5) Å. In the anion, the In(III) atom is coordin-ated by four O atoms from two oxalato ligands and two O atoms from two formato ligands in a distorted octa-hedral geometry. Inter-molecular O-H⋯O and N-H⋯O hydrogen bonds form an extensive hydrogen-bonding network, which link the cations, anions and water mol-ecules into three-dimensional structure.Entities:
Year: 2011 PMID: 21754305 PMCID: PMC3089116 DOI: 10.1107/S1600536811013109
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Co(C2H8N2)3][In(CHO2)2(C2O4)2]·2H2O | |
| Triclinic, | |
| Mo | |
| Cell parameters from 11095 reflections | |
| θ = 3.1–27.5° | |
| α = 79.09 (3)° | µ = 1.80 mm−1 |
| β = 81.45 (3)° | |
| γ = 88.43 (3)° | Block, yellow |
| 0.2 × 0.18 × 0.15 mm |
| Rigaku R-AXIS RAPID-S diffractometer | 5263 independent reflections |
| Radiation source: fine-focus sealed tube | 3963 reflections with |
| graphite | |
| ω scans | θmax = 27.5°, θmin = 3.1° |
| Absorption correction: multi-scan ( | |
| 12132 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 | |
| 5263 reflections | (Δ/σ)max = 0.002 |
| 311 parameters | Δρmax = 1.01 e Å−3 |
| 0 restraints | Δρmin = −1.13 e Å−3 |
| 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. |
| Refinement. Refinement of |
| In1 | 0.74015 (5) | 0.84824 (3) | 0.22384 (3) | 0.03043 (16) | |
| Co1 | 0.91881 (8) | 0.71299 (6) | 0.70020 (6) | 0.02243 (19) | |
| O1 | 0.7451 (5) | 0.7212 (3) | 0.3813 (3) | 0.0322 (9) | |
| O2 | 0.7964 (6) | 0.5351 (3) | 0.4313 (3) | 0.0427 (11) | |
| O3 | 0.6793 (5) | 0.6899 (3) | 0.1777 (3) | 0.0311 (9) | |
| O4 | 0.7309 (5) | 0.5043 (3) | 0.2225 (3) | 0.0332 (9) | |
| O5 | 0.4826 (5) | 0.8852 (4) | 0.2719 (4) | 0.0393 (10) | |
| O6 | 0.3200 (5) | 1.0247 (4) | 0.3203 (4) | 0.0456 (11) | |
| O7 | 0.7497 (5) | 0.9860 (3) | 0.3147 (4) | 0.0343 (9) | |
| O8 | 0.5935 (5) | 1.1319 (4) | 0.3600 (4) | 0.0507 (12) | |
| O9 | 1.0041 (5) | 0.8544 (4) | 0.1954 (4) | 0.0500 (12) | |
| O10 | 1.0526 (6) | 0.6669 (4) | 0.2194 (4) | 0.0539 (13) | |
| O11 | 0.7412 (7) | 0.9122 (5) | 0.0455 (4) | 0.0629 (15) | |
| O12 | 0.6375 (8) | 1.0792 (5) | 0.0718 (5) | 0.0687 (16) | |
| N1 | 0.9683 (6) | 0.8481 (4) | 0.7639 (4) | 0.0351 (12) | |
| H1A | 1.0430 | 0.8927 | 0.7141 | 0.080* | |
| H1B | 0.8760 | 0.8887 | 0.7769 | 0.080* | |
| N2 | 0.9620 (6) | 0.6240 (5) | 0.8484 (4) | 0.0360 (12) | |
| H2A | 0.8827 | 0.5714 | 0.8749 | 0.080* | |
| H2B | 1.0592 | 0.5880 | 0.8388 | 0.080* | |
| N3 | 0.6829 (6) | 0.7226 (4) | 0.7557 (4) | 0.0343 (11) | |
| H3A | 0.6647 | 0.7027 | 0.8324 | 0.080* | |
| H3B | 0.6474 | 0.7941 | 0.7362 | 0.080* | |
| N4 | 0.8610 (6) | 0.5716 (4) | 0.6530 (4) | 0.0336 (11) | |
| H4A | 0.8704 | 0.5827 | 0.5764 | 0.080* | |
| H4B | 0.9314 | 0.5162 | 0.6759 | 0.080* | |
| N5 | 1.1499 (6) | 0.7020 (4) | 0.6257 (4) | 0.0307 (11) | |
| H5A | 1.2164 | 0.7433 | 0.6552 | 0.080* | |
| H5B | 1.1837 | 0.6294 | 0.6383 | 0.080* | |
| N6 | 0.8846 (6) | 0.8113 (4) | 0.5550 (4) | 0.0342 (11) | |
| H6A | 0.8290 | 0.7732 | 0.5151 | 0.080* | |
| H6B | 0.8245 | 0.8722 | 0.5692 | 0.080* | |
| C1 | 1.0354 (12) | 0.8056 (8) | 0.8742 (6) | 0.072 (3) | |
| H1C | 1.1543 | 0.7986 | 0.8582 | 0.080* | |
| H1D | 1.0109 | 0.8604 | 0.9241 | 0.080* | |
| C2 | 0.9658 (11) | 0.6976 (7) | 0.9314 (7) | 0.067 (2) | |
| H2C | 0.8548 | 0.7081 | 0.9688 | 0.080* | |
| H2D | 1.0315 | 0.6629 | 0.9893 | 0.080* | |
| C3 | 0.5917 (7) | 0.6445 (6) | 0.7038 (6) | 0.0427 (16) | |
| H3C | 0.5784 | 0.6795 | 0.6262 | 0.080* | |
| H3D | 0.4832 | 0.6283 | 0.7477 | 0.080* | |
| C4 | 0.6898 (7) | 0.5366 (5) | 0.7039 (5) | 0.0371 (14) | |
| H4C | 0.6872 | 0.4946 | 0.7813 | 0.080* | |
| H4D | 0.6452 | 0.4892 | 0.6590 | 0.080* | |
| C5 | 1.1587 (7) | 0.7451 (5) | 0.5007 (5) | 0.0359 (14) | |
| H5C | 1.1213 | 0.6875 | 0.4637 | 0.080* | |
| H5D | 1.2711 | 0.7656 | 0.4667 | 0.080* | |
| C6 | 1.0470 (8) | 0.8487 (5) | 0.4871 (5) | 0.0369 (14) | |
| H6C | 1.0917 | 0.9098 | 0.5157 | 0.080* | |
| H6D | 1.0360 | 0.8749 | 0.4074 | 0.080* | |
| C7 | 0.7596 (7) | 0.6186 (5) | 0.3633 (5) | 0.0296 (12) | |
| C8 | 0.7208 (6) | 0.6011 (4) | 0.2445 (4) | 0.0235 (11) | |
| C9 | 0.4559 (7) | 0.9783 (5) | 0.3048 (5) | 0.0351 (14) | |
| C10 | 0.6120 (7) | 1.0395 (5) | 0.3296 (5) | 0.0351 (14) | |
| C11 | 1.0973 (8) | 0.7662 (7) | 0.2032 (6) | 0.0447 (16) | |
| H11A | 1.2100 | 0.7789 | 0.1957 | 0.080* | |
| C12 | 0.6927 (10) | 1.0096 (7) | 0.0090 (7) | 0.057 (2) | |
| H12A | 0.6974 | 1.0326 | −0.0696 | 0.080* | |
| O2W | 0.5103 (6) | 0.2921 (4) | 0.0086 (4) | 0.0538 (15) | |
| H2WA | 0.482 | 0.2861 | −0.028 | 0.080* | |
| H2WB | 0.531 | 0.251 | 0.030 | 0.080* | |
| O1W | 0.7148 (6) | 0.4807 (5) | −0.0054 (4) | 0.0612 (16) | |
| H1WA | 0.668 | 0.422 | −0.0017 | 0.080* | |
| H1WB | 0.6890 | 0.4882 | 0.060 | 0.080* |
| In1 | 0.0318 (3) | 0.0236 (3) | 0.0380 (3) | 0.00444 (17) | −0.01046 (18) | −0.00754 (18) |
| Co1 | 0.0216 (4) | 0.0219 (4) | 0.0252 (4) | 0.0017 (3) | −0.0058 (3) | −0.0063 (3) |
| O1 | 0.042 (2) | 0.025 (2) | 0.031 (2) | 0.0068 (18) | −0.0109 (18) | −0.0073 (17) |
| O2 | 0.068 (3) | 0.030 (2) | 0.031 (2) | 0.011 (2) | −0.019 (2) | 0.0007 (18) |
| O3 | 0.043 (2) | 0.022 (2) | 0.032 (2) | 0.0033 (18) | −0.0167 (18) | −0.0064 (17) |
| O4 | 0.043 (2) | 0.021 (2) | 0.037 (2) | −0.0027 (18) | −0.0084 (18) | −0.0067 (17) |
| O5 | 0.027 (2) | 0.030 (2) | 0.066 (3) | 0.0050 (18) | −0.013 (2) | −0.020 (2) |
| O6 | 0.030 (2) | 0.035 (2) | 0.075 (3) | 0.0086 (19) | −0.007 (2) | −0.019 (2) |
| O7 | 0.028 (2) | 0.025 (2) | 0.052 (3) | 0.0011 (17) | −0.0104 (18) | −0.0103 (19) |
| O8 | 0.045 (3) | 0.038 (3) | 0.082 (4) | 0.006 (2) | −0.019 (2) | −0.037 (3) |
| O9 | 0.029 (2) | 0.051 (3) | 0.065 (3) | 0.003 (2) | −0.001 (2) | −0.002 (2) |
| O10 | 0.044 (3) | 0.050 (3) | 0.064 (3) | 0.008 (2) | −0.001 (2) | −0.008 (3) |
| O11 | 0.080 (4) | 0.052 (3) | 0.049 (3) | 0.007 (3) | −0.019 (3) | 0.015 (3) |
| O12 | 0.094 (4) | 0.049 (3) | 0.066 (4) | −0.001 (3) | −0.037 (3) | 0.002 (3) |
| N1 | 0.029 (3) | 0.037 (3) | 0.044 (3) | 0.000 (2) | −0.006 (2) | −0.019 (2) |
| N2 | 0.036 (3) | 0.043 (3) | 0.031 (3) | 0.003 (2) | −0.009 (2) | −0.009 (2) |
| N3 | 0.032 (3) | 0.033 (3) | 0.041 (3) | 0.001 (2) | −0.007 (2) | −0.012 (2) |
| N4 | 0.034 (3) | 0.032 (3) | 0.037 (3) | 0.002 (2) | −0.008 (2) | −0.008 (2) |
| N5 | 0.028 (2) | 0.026 (3) | 0.037 (3) | 0.003 (2) | −0.004 (2) | −0.007 (2) |
| N6 | 0.039 (3) | 0.024 (3) | 0.040 (3) | 0.003 (2) | −0.013 (2) | −0.004 (2) |
| C1 | 0.111 (7) | 0.073 (6) | 0.038 (4) | −0.031 (5) | −0.019 (4) | −0.012 (4) |
| C2 | 0.097 (7) | 0.065 (5) | 0.050 (5) | 0.013 (5) | −0.037 (4) | −0.024 (4) |
| C3 | 0.029 (3) | 0.051 (4) | 0.053 (4) | −0.009 (3) | −0.010 (3) | −0.017 (3) |
| C4 | 0.034 (3) | 0.034 (3) | 0.042 (4) | −0.007 (3) | −0.002 (3) | −0.006 (3) |
| C5 | 0.039 (3) | 0.034 (3) | 0.033 (3) | −0.001 (3) | −0.002 (3) | −0.002 (3) |
| C6 | 0.045 (4) | 0.032 (3) | 0.031 (3) | −0.006 (3) | −0.003 (3) | −0.001 (3) |
| C7 | 0.033 (3) | 0.025 (3) | 0.032 (3) | 0.005 (2) | −0.007 (2) | −0.008 (2) |
| C8 | 0.026 (3) | 0.023 (3) | 0.022 (3) | −0.001 (2) | −0.006 (2) | −0.005 (2) |
| C9 | 0.030 (3) | 0.030 (3) | 0.048 (4) | 0.002 (3) | −0.008 (3) | −0.013 (3) |
| C10 | 0.030 (3) | 0.028 (3) | 0.048 (4) | −0.001 (3) | −0.012 (3) | −0.005 (3) |
| C11 | 0.027 (3) | 0.056 (5) | 0.046 (4) | 0.007 (3) | −0.003 (3) | 0.001 (3) |
| C12 | 0.057 (5) | 0.060 (5) | 0.046 (4) | −0.008 (4) | −0.015 (4) | 0.012 (4) |
| O2W | 0.076 (4) | 0.049 (3) | 0.046 (3) | 0.009 (3) | −0.028 (2) | −0.018 (2) |
| O1W | 0.066 (3) | 0.078 (4) | 0.038 (3) | −0.022 (3) | 0.005 (2) | −0.013 (3) |
| In1—O11 | 2.140 (5) | N4—C4 | 1.485 (7) |
| In1—O9 | 2.143 (4) | N4—H4A | 0.9000 |
| In1—O7 | 2.160 (4) | N4—H4B | 0.9000 |
| In1—O5 | 2.164 (4) | N5—C5 | 1.489 (8) |
| In1—O3 | 2.171 (4) | N5—H5A | 0.9000 |
| In1—O1 | 2.203 (4) | N5—H5B | 0.9000 |
| Co1—N3 | 1.960 (5) | N6—C6 | 1.489 (8) |
| Co1—N6 | 1.970 (5) | N6—H6A | 0.9000 |
| Co1—N2 | 1.976 (5) | N6—H6B | 0.9000 |
| Co1—N4 | 1.981 (5) | C1—C2 | 1.439 (11) |
| Co1—N5 | 1.986 (5) | C1—H1C | 0.9700 |
| Co1—N1 | 1.997 (5) | C1—H1D | 0.9700 |
| O1—C7 | 1.292 (7) | C2—H2C | 0.9700 |
| O2—C7 | 1.230 (7) | C2—H2D | 0.9700 |
| O3—C8 | 1.280 (6) | C3—C4 | 1.507 (9) |
| O4—C8 | 1.239 (6) | C3—H3C | 0.9700 |
| O5—C9 | 1.259 (7) | C3—H3D | 0.9700 |
| O6—C9 | 1.238 (7) | C4—H4C | 0.9700 |
| O7—C10 | 1.290 (7) | C4—H4D | 0.9700 |
| O8—C10 | 1.232 (7) | C5—C6 | 1.524 (8) |
| O9—C11 | 1.286 (8) | C5—H5C | 0.9700 |
| O10—C11 | 1.229 (8) | C5—H5D | 0.9700 |
| O11—C12 | 1.247 (9) | C6—H6C | 0.9700 |
| O12—C12 | 1.262 (10) | C6—H6D | 0.9700 |
| N1—C1 | 1.509 (9) | C7—C8 | 1.565 (7) |
| N1—H1A | 0.9000 | C9—C10 | 1.587 (8) |
| N1—H1B | 0.9000 | C11—H11A | 0.9300 |
| N2—C2 | 1.459 (9) | C12—H12A | 0.9300 |
| N2—H2A | 0.9000 | O2W—H2WA | 0.5459 |
| N2—H2B | 0.9000 | O2W—H2WB | 0.5460 |
| N3—C3 | 1.493 (8) | O1W—H1WA | 0.8043 |
| N3—H3A | 0.9000 | O1W—H1WB | 0.8031 |
| N3—H3B | 0.9000 | ||
| O11—In1—O9 | 88.9 (2) | Co1—N5—H5B | 109.9 |
| O11—In1—O7 | 110.48 (19) | H5A—N5—H5B | 108.3 |
| O9—In1—O7 | 86.65 (17) | C6—N6—Co1 | 109.6 (4) |
| O11—In1—O5 | 94.8 (2) | C6—N6—H6A | 109.8 |
| O9—In1—O5 | 163.60 (18) | Co1—N6—H6A | 109.8 |
| O7—In1—O5 | 77.07 (15) | C6—N6—H6B | 109.8 |
| O11—In1—O3 | 82.94 (18) | Co1—N6—H6B | 109.8 |
| O9—In1—O3 | 104.71 (18) | H6A—N6—H6B | 108.2 |
| O7—In1—O3 | 162.86 (16) | C2—C1—N1 | 111.7 (6) |
| O5—In1—O3 | 91.61 (16) | C2—C1—H1C | 109.3 |
| O11—In1—O1 | 157.73 (19) | N1—C1—H1C | 109.3 |
| O9—In1—O1 | 90.38 (17) | C2—C1—H1D | 109.3 |
| O7—In1—O1 | 91.69 (15) | N1—C1—H1D | 109.3 |
| O5—In1—O1 | 92.12 (16) | H1C—C1—H1D | 107.9 |
| O3—In1—O1 | 75.71 (14) | C1—C2—N2 | 109.6 (6) |
| N3—Co1—N6 | 89.5 (2) | C1—C2—H2C | 109.8 |
| N3—Co1—N2 | 91.9 (2) | N2—C2—H2C | 109.8 |
| N6—Co1—N2 | 175.7 (2) | C1—C2—H2D | 109.8 |
| N3—Co1—N4 | 85.3 (2) | N2—C2—H2D | 109.8 |
| N6—Co1—N4 | 94.4 (2) | H2C—C2—H2D | 108.2 |
| N2—Co1—N4 | 89.8 (2) | N3—C3—C4 | 108.0 (5) |
| N3—Co1—N5 | 173.0 (2) | N3—C3—H3C | 110.1 |
| N6—Co1—N5 | 85.1 (2) | C4—C3—H3C | 110.1 |
| N2—Co1—N5 | 93.7 (2) | N3—C3—H3D | 110.1 |
| N4—Co1—N5 | 90.6 (2) | C4—C3—H3D | 110.1 |
| N3—Co1—N1 | 91.9 (2) | H3C—C3—H3D | 108.4 |
| N6—Co1—N1 | 90.6 (2) | N4—C4—C3 | 106.1 (5) |
| N2—Co1—N1 | 85.3 (2) | N4—C4—H4C | 110.5 |
| N4—Co1—N1 | 174.2 (2) | C3—C4—H4C | 110.5 |
| N5—Co1—N1 | 92.7 (2) | N4—C4—H4D | 110.5 |
| C7—O1—In1 | 113.2 (3) | C3—C4—H4D | 110.5 |
| C8—O3—In1 | 114.3 (3) | H4C—C4—H4D | 108.7 |
| C9—O5—In1 | 114.6 (4) | N5—C5—C6 | 106.6 (5) |
| C10—O7—In1 | 113.9 (4) | N5—C5—H5C | 110.4 |
| C11—O9—In1 | 124.1 (5) | C6—C5—H5C | 110.4 |
| C12—O11—In1 | 122.2 (5) | N5—C5—H5D | 110.4 |
| C1—N1—Co1 | 107.6 (4) | C6—C5—H5D | 110.4 |
| C1—N1—H1A | 110.2 | H5C—C5—H5D | 108.6 |
| Co1—N1—H1A | 110.2 | N6—C6—C5 | 105.9 (5) |
| C1—N1—H1B | 110.2 | N6—C6—H6C | 110.6 |
| Co1—N1—H1B | 110.2 | C5—C6—H6C | 110.6 |
| H1A—N1—H1B | 108.5 | N6—C6—H6D | 110.6 |
| C2—N2—Co1 | 110.7 (4) | C5—C6—H6D | 110.6 |
| C2—N2—H2A | 109.5 | H6C—C6—H6D | 108.7 |
| Co1—N2—H2A | 109.5 | O2—C7—O1 | 126.1 (5) |
| C2—N2—H2B | 109.5 | O2—C7—C8 | 118.4 (5) |
| Co1—N2—H2B | 109.5 | O1—C7—C8 | 115.5 (5) |
| H2A—N2—H2B | 108.1 | O4—C8—O3 | 125.3 (5) |
| C3—N3—Co1 | 108.8 (4) | O4—C8—C7 | 118.6 (5) |
| C3—N3—H3A | 109.9 | O3—C8—C7 | 116.1 (4) |
| Co1—N3—H3A | 109.9 | O6—C9—O5 | 125.9 (6) |
| C3—N3—H3B | 109.9 | O6—C9—C10 | 118.0 (5) |
| Co1—N3—H3B | 109.9 | O5—C9—C10 | 116.1 (5) |
| H3A—N3—H3B | 108.3 | O8—C10—O7 | 125.8 (5) |
| C4—N4—Co1 | 110.4 (4) | O8—C10—C9 | 118.9 (5) |
| C4—N4—H4A | 109.6 | O7—C10—C9 | 115.3 (5) |
| Co1—N4—H4A | 109.6 | O10—C11—O9 | 126.7 (6) |
| C4—N4—H4B | 109.6 | O10—C11—H11A | 116.7 |
| Co1—N4—H4B | 109.6 | O9—C11—H11A | 116.7 |
| H4A—N4—H4B | 108.1 | O11—C12—O12 | 124.2 (7) |
| C5—N5—Co1 | 109.0 (4) | O11—C12—H12A | 117.9 |
| C5—N5—H5A | 109.9 | O12—C12—H12A | 117.9 |
| Co1—N5—H5A | 109.9 | H2WA—O2W—H2WB | 109.4 |
| C5—N5—H5B | 109.9 | H1WA—O1W—H1WB | 98.5 |
| H··· | ||||
| N1—H1A···O7i | 0.90 | 2.22 | 3.019 (7) | 148 |
| N1—H1B···O6ii | 0.90 | 2.25 | 2.981 (7) | 139 |
| N2—H2A···O1Wiii | 0.90 | 2.02 | 2.857 (7) | 155 |
| N2—H2B···O4iv | 0.90 | 2.14 | 3.017 (6) | 166 |
| N3—H3A···O2Wv | 0.90 | 2.23 | 3.017 (7) | 146 |
| N3—H3B···O6ii | 0.90 | 2.17 | 3.002 (7) | 154 |
| N3—H3B···O8ii | 0.90 | 2.50 | 3.153 (7) | 130 |
| N4—H4A···O2 | 0.90 | 2.11 | 2.915 (6) | 148 |
| N4—H4B···O10iv | 0.90 | 2.33 | 3.102 (7) | 144 |
| N4—H4B···O2iv | 0.90 | 2.53 | 3.166 (7) | 128 |
| N5—H5A···O8i | 0.90 | 2.16 | 2.986 (6) | 153 |
| N5—H5B···O4iv | 0.90 | 2.27 | 3.022 (6) | 141 |
| N5—H5B···O2iv | 0.90 | 2.28 | 3.060 (6) | 145 |
| N6—H6A···O1 | 0.90 | 2.05 | 2.917 (7) | 161 |
| N6—H6B···O6ii | 0.90 | 2.19 | 3.024 (7) | 154 |
| O2W—H2WA···O3vi | 0.55 | 2.36 | 2.889 (6) | 163 |
| O2W—H2WB···O12vii | 0.55 | 2.22 | 2.751 (7) | 166 |
| O1W—H1WA···O2W | 0.80 | 2.03 | 2.821 (7) | 169 |
| O1W—H1WB···O4 | 0.80 | 2.09 | 2.836 (6) | 156 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| N1—H1 | 0.90 | 2.22 | 3.019 (7) | 148 |
| N1—H1 | 0.90 | 2.25 | 2.981 (7) | 139 |
| N2—H2 | 0.90 | 2.02 | 2.857 (7) | 155 |
| N2—H2 | 0.90 | 2.14 | 3.017 (6) | 166 |
| N3—H3 | 0.90 | 2.23 | 3.017 (7) | 146 |
| N3—H3 | 0.90 | 2.17 | 3.002 (7) | 154 |
| N3—H3 | 0.90 | 2.50 | 3.153 (7) | 130 |
| N4—H4 | 0.90 | 2.11 | 2.915 (6) | 148 |
| N4—H4 | 0.90 | 2.33 | 3.102 (7) | 144 |
| N4—H4 | 0.90 | 2.53 | 3.166 (7) | 128 |
| N5—H5 | 0.90 | 2.16 | 2.986 (6) | 153 |
| N5—H5 | 0.90 | 2.27 | 3.022 (6) | 141 |
| N5—H5 | 0.90 | 2.28 | 3.060 (6) | 145 |
| N6—H6 | 0.90 | 2.05 | 2.917 (7) | 161 |
| N6—H6 | 0.90 | 2.19 | 3.024 (7) | 154 |
| O2 | 0.55 | 2.36 | 2.889 (6) | 163 |
| O2 | 0.55 | 2.22 | 2.751 (7) | 166 |
| O1 | 0.80 | 2.03 | 2.821 (7) | 169 |
| O1 | 0.80 | 2.09 | 2.836 (6) | 156 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) .