| Literature DB >> 22199500 |
Abstract
In the title compound, {[Co(3)Lu(2)(C(5)H(2)N(2)O(4))(6)(H(2)O)(4)]·2H(2)O}(n), the Lu(III) ions are seven-coordinated in a monocapped trigonal prismatic coordination geometry by six O atoms from three imidazole-4,5-dicarboxyl-ate ligands and one water O atom. The Co(II) ions are six-coordinated in a slightly distorted octa-hedral geometry and exhibit two types of coordination environments. One Co(II) ion, located on an inversion center, is coordinated by two water O atoms as well as two O atoms and two N atoms from two imidazole-4,5-dicarboxyl-ate ligands. The other Co(II) ion is bonded to four O atoms and two N atoms from four imidazole-4,5-dicarboxyl-ate ligands. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate ligands, generating a three-dimensional network. The crystal structure is further stabilized by N-H⋯O, O-H⋯O, and C-H⋯O hydrogen-bonding inter-actions between the water mol-ecules and the imidazole-4,5-dicarboxyl-ate ligands.Entities:
Year: 2011 PMID: 22199500 PMCID: PMC3238609 DOI: 10.1107/S1600536811045764
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Co3Lu2(C5H2N2O4)6(H2O)4]·2H2O | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 2416 reflections | |
| θ = 2.3–27.1° | |
| µ = 6.08 mm−1 | |
| α = 95.515 (1)° | |
| β = 96.786 (1)° | Block, red |
| γ = 97.195 (1)° | 0.20 × 0.18 × 0.15 mm |
| Bruker APEXII area-detector diffractometer | 3642 independent reflections |
| Radiation source: fine-focus sealed tube | 3280 reflections with |
| graphite | |
| φ and ω scan | θmax = 25.2°, θmin = 2.3° |
| Absorption correction: multi-scan ( | |
| 5351 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 | |
| 3642 reflections | (Δ/σ)max = 0.001 |
| 376 parameters | Δρmax = 1.38 e Å−3 |
| 12 restraints | Δρmin = −1.34 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 |
| Lu1 | 0.70112 (4) | 0.58976 (3) | 0.256536 (13) | 0.01212 (9) | |
| Co1 | 0.38269 (11) | 0.06475 (9) | 0.42418 (4) | 0.01307 (17) | |
| Co2 | 0.5000 | 1.0000 | 0.0000 | 0.0142 (2) | |
| C1 | 0.6258 (8) | 0.7760 (7) | 0.4223 (3) | 0.0133 (12) | |
| C2 | 0.7053 (8) | 0.6660 (7) | 0.4742 (3) | 0.0133 (12) | |
| C3 | 0.8108 (9) | 0.6042 (7) | 0.5848 (4) | 0.0220 (14) | |
| H3 | 0.8561 | 0.6115 | 0.6362 | 0.026* | |
| C4 | 0.7216 (8) | 0.5032 (6) | 0.4657 (3) | 0.0103 (11) | |
| C5 | 0.6582 (8) | 0.3717 (7) | 0.4028 (3) | 0.0143 (12) | |
| C6 | 0.1022 (8) | −0.2023 (7) | 0.3429 (3) | 0.0132 (12) | |
| C7 | 0.1583 (8) | −0.1024 (6) | 0.2827 (3) | 0.0134 (12) | |
| C8 | 0.3107 (9) | 0.1157 (7) | 0.2497 (3) | 0.0195 (13) | |
| H8 | 0.3898 | 0.2141 | 0.2508 | 0.023* | |
| C9 | 0.1057 (8) | −0.1066 (7) | 0.2054 (3) | 0.0138 (12) | |
| C10 | −0.0137 (8) | −0.2248 (7) | 0.1460 (3) | 0.0149 (12) | |
| C11 | 0.2968 (9) | 0.4493 (7) | 0.1376 (3) | 0.0172 (13) | |
| C12 | 0.3326 (8) | 0.5562 (7) | 0.0773 (3) | 0.0138 (12) | |
| C13 | 0.2892 (9) | 0.6358 (7) | −0.0373 (3) | 0.0189 (13) | |
| H13 | 0.2474 | 0.6347 | −0.0887 | 0.023* | |
| C14 | 0.4316 (8) | 0.7088 (7) | 0.0769 (3) | 0.0135 (12) | |
| C15 | 0.5438 (8) | 0.8341 (7) | 0.1358 (3) | 0.0140 (12) | |
| O1 | 0.5982 (6) | 0.7412 (5) | 0.3519 (2) | 0.0215 (10) | |
| O2 | 0.5862 (6) | 0.9071 (4) | 0.4555 (2) | 0.0147 (8) | |
| O3 | 0.6263 (6) | 0.4072 (5) | 0.3362 (2) | 0.0195 (9) | |
| O4 | 0.6378 (6) | 0.2288 (4) | 0.4209 (2) | 0.0192 (9) | |
| O5 | 0.1840 (6) | −0.1529 (5) | 0.4094 (2) | 0.0200 (9) | |
| O6 | −0.0193 (6) | −0.3287 (5) | 0.3281 (2) | 0.0221 (10) | |
| O7 | −0.1116 (6) | −0.3469 (5) | 0.1661 (2) | 0.0194 (9) | |
| O8 | −0.0117 (6) | −0.2004 (5) | 0.0777 (2) | 0.0191 (9) | |
| O9 | 0.4324 (6) | 0.4605 (5) | 0.1932 (2) | 0.0264 (10) | |
| O10 | 0.1470 (6) | 0.3533 (5) | 0.1285 (2) | 0.0256 (10) | |
| O11 | 0.5857 (6) | 0.8010 (5) | 0.2037 (2) | 0.0184 (9) | |
| O12 | 0.5894 (6) | 0.9710 (5) | 0.1153 (2) | 0.0178 (9) | |
| N1 | 0.7588 (7) | 0.7273 (6) | 0.5495 (3) | 0.0176 (11) | |
| N2 | 0.7899 (7) | 0.4672 (6) | 0.5366 (3) | 0.0164 (11) | |
| N3 | 0.2873 (7) | 0.0359 (5) | 0.3091 (3) | 0.0158 (11) | |
| N4 | 0.2033 (8) | 0.0336 (6) | 0.1876 (3) | 0.0204 (11) | |
| N5 | 0.2432 (7) | 0.5151 (6) | 0.0041 (3) | 0.0173 (11) | |
| N6 | 0.4021 (7) | 0.7565 (5) | 0.0052 (3) | 0.0139 (10) | |
| H1 | 0.801 (9) | 0.372 (4) | 0.550 (3) | 0.021* | |
| H2 | 0.209 (9) | 0.060 (7) | 0.1428 (17) | 0.021* | |
| H4 | 0.181 (8) | 0.420 (4) | −0.008 (3) | 0.021* | |
| O1W | 0.2273 (6) | 1.0469 (5) | 0.0245 (2) | 0.0223 (10) | |
| H1W | 0.160 (8) | 0.965 (5) | 0.030 (4) | 0.033* | |
| H2W | 0.168 (8) | 1.090 (7) | −0.008 (3) | 0.033* | |
| O2W | 0.8496 (7) | 0.3654 (5) | 0.2236 (3) | 0.0252 (10) | |
| H3W | 0.826 (10) | 0.284 (5) | 0.244 (4) | 0.038* | |
| H4W | 0.931 (8) | 0.351 (7) | 0.197 (3) | 0.038* | |
| O3W | 0.8053 (7) | 0.0904 (5) | 0.2910 (3) | 0.0314 (11) | |
| H5W | 0.734 (8) | 0.016 (7) | 0.260 (3) | 0.047* | |
| H6W | 0.741 (9) | 0.111 (8) | 0.328 (3) | 0.047* |
| Lu1 | 0.01755 (14) | 0.00981 (13) | 0.00769 (13) | −0.00126 (9) | −0.00124 (9) | 0.00199 (9) |
| Co1 | 0.0202 (4) | 0.0086 (4) | 0.0091 (4) | 0.0011 (3) | −0.0020 (3) | 0.0002 (3) |
| Co2 | 0.0174 (6) | 0.0130 (5) | 0.0121 (6) | 0.0005 (4) | 0.0001 (5) | 0.0060 (4) |
| C1 | 0.016 (3) | 0.014 (3) | 0.010 (3) | −0.001 (2) | 0.003 (2) | 0.006 (2) |
| C2 | 0.015 (3) | 0.015 (3) | 0.011 (3) | 0.005 (2) | 0.006 (2) | −0.001 (2) |
| C3 | 0.030 (4) | 0.018 (3) | 0.017 (3) | 0.007 (3) | −0.004 (3) | −0.001 (3) |
| C4 | 0.011 (3) | 0.010 (3) | 0.010 (3) | 0.003 (2) | −0.002 (2) | 0.004 (2) |
| C5 | 0.015 (3) | 0.013 (3) | 0.016 (3) | 0.002 (2) | 0.004 (2) | 0.003 (2) |
| C6 | 0.015 (3) | 0.014 (3) | 0.011 (3) | 0.003 (2) | 0.002 (2) | 0.003 (2) |
| C7 | 0.014 (3) | 0.010 (3) | 0.016 (3) | 0.000 (2) | 0.000 (2) | 0.003 (2) |
| C8 | 0.029 (4) | 0.013 (3) | 0.014 (3) | −0.003 (3) | −0.004 (3) | 0.004 (2) |
| C9 | 0.017 (3) | 0.015 (3) | 0.009 (3) | 0.002 (2) | 0.000 (2) | 0.004 (2) |
| C10 | 0.013 (3) | 0.018 (3) | 0.015 (3) | 0.006 (2) | 0.001 (2) | 0.003 (2) |
| C11 | 0.022 (3) | 0.010 (3) | 0.020 (3) | 0.003 (2) | 0.002 (3) | 0.005 (2) |
| C12 | 0.012 (3) | 0.015 (3) | 0.013 (3) | 0.001 (2) | −0.002 (2) | 0.001 (2) |
| C13 | 0.022 (3) | 0.021 (3) | 0.012 (3) | 0.003 (3) | −0.007 (3) | 0.002 (2) |
| C14 | 0.011 (3) | 0.015 (3) | 0.014 (3) | 0.003 (2) | −0.001 (2) | 0.001 (2) |
| C15 | 0.019 (3) | 0.013 (3) | 0.009 (3) | 0.000 (2) | 0.000 (2) | 0.002 (2) |
| O1 | 0.035 (3) | 0.021 (2) | 0.009 (2) | 0.011 (2) | −0.0023 (18) | 0.0024 (17) |
| O2 | 0.025 (2) | 0.0101 (19) | 0.0083 (19) | 0.0051 (17) | −0.0017 (17) | −0.0002 (16) |
| O3 | 0.031 (2) | 0.015 (2) | 0.011 (2) | −0.0016 (18) | −0.0005 (18) | 0.0032 (17) |
| O4 | 0.023 (2) | 0.011 (2) | 0.022 (2) | −0.0015 (17) | −0.0008 (19) | 0.0044 (17) |
| O5 | 0.028 (2) | 0.018 (2) | 0.011 (2) | −0.0003 (18) | −0.0064 (18) | 0.0051 (17) |
| O6 | 0.027 (2) | 0.018 (2) | 0.017 (2) | −0.0079 (19) | −0.0043 (19) | 0.0075 (18) |
| O7 | 0.025 (2) | 0.015 (2) | 0.015 (2) | −0.0040 (18) | 0.0003 (18) | −0.0023 (17) |
| O8 | 0.024 (2) | 0.022 (2) | 0.009 (2) | −0.0009 (18) | −0.0021 (18) | 0.0035 (17) |
| O9 | 0.031 (3) | 0.020 (2) | 0.023 (2) | −0.0083 (19) | −0.012 (2) | 0.0112 (19) |
| O10 | 0.021 (2) | 0.027 (2) | 0.026 (2) | −0.006 (2) | −0.003 (2) | 0.011 (2) |
| O11 | 0.033 (2) | 0.013 (2) | 0.009 (2) | 0.0025 (18) | −0.0006 (18) | 0.0029 (16) |
| O12 | 0.025 (2) | 0.013 (2) | 0.015 (2) | −0.0015 (17) | −0.0017 (18) | 0.0090 (17) |
| N1 | 0.025 (3) | 0.017 (3) | 0.011 (2) | 0.003 (2) | −0.001 (2) | 0.002 (2) |
| N2 | 0.024 (3) | 0.012 (2) | 0.014 (3) | 0.008 (2) | −0.002 (2) | 0.007 (2) |
| N3 | 0.021 (3) | 0.012 (2) | 0.012 (2) | −0.003 (2) | −0.001 (2) | 0.000 (2) |
| N4 | 0.026 (3) | 0.024 (3) | 0.013 (3) | 0.001 (2) | 0.005 (2) | 0.011 (2) |
| N5 | 0.022 (3) | 0.013 (2) | 0.012 (3) | −0.004 (2) | −0.005 (2) | −0.004 (2) |
| N6 | 0.017 (3) | 0.016 (3) | 0.008 (2) | 0.001 (2) | 0.002 (2) | 0.003 (2) |
| O1W | 0.020 (2) | 0.027 (3) | 0.023 (2) | 0.0045 (19) | 0.0031 (19) | 0.014 (2) |
| O2W | 0.035 (3) | 0.018 (2) | 0.026 (3) | 0.007 (2) | 0.013 (2) | 0.006 (2) |
| O3W | 0.042 (3) | 0.020 (2) | 0.032 (3) | 0.001 (2) | 0.014 (2) | −0.001 (2) |
| Lu1—O9 | 2.183 (4) | C7—N3 | 1.382 (7) |
| Lu1—O6i | 2.206 (4) | C8—N3 | 1.320 (7) |
| Lu1—O3 | 2.238 (4) | C8—N4 | 1.340 (8) |
| Lu1—O7i | 2.261 (4) | C8—H8 | 0.9300 |
| Lu1—O1 | 2.264 (4) | C9—N4 | 1.366 (7) |
| Lu1—O11 | 2.270 (4) | C9—C10 | 1.477 (8) |
| Lu1—O2W | 2.317 (4) | C10—O8 | 1.257 (7) |
| Co1—N3 | 2.066 (5) | C10—O7 | 1.263 (7) |
| Co1—O2ii | 2.121 (4) | C11—O10 | 1.226 (7) |
| Co1—O5 | 2.123 (4) | C11—O9 | 1.281 (7) |
| Co1—O2iii | 2.125 (4) | C11—C12 | 1.486 (8) |
| Co1—O4 | 2.126 (4) | C12—C14 | 1.374 (8) |
| Co1—N1ii | 2.147 (5) | C12—N5 | 1.374 (7) |
| Co2—N6 | 2.077 (4) | C13—N6 | 1.316 (7) |
| Co2—N6iv | 2.077 (4) | C13—N5 | 1.335 (8) |
| Co2—O1Wiv | 2.092 (4) | C13—H13 | 0.9300 |
| Co2—O1W | 2.092 (4) | C14—N6 | 1.377 (7) |
| Co2—O12iv | 2.126 (4) | C14—C15 | 1.486 (7) |
| Co2—O12 | 2.126 (4) | C15—O12 | 1.249 (6) |
| C1—O1 | 1.249 (6) | C15—O11 | 1.278 (6) |
| C1—O2 | 1.272 (6) | O2—Co1ii | 2.121 (4) |
| C1—C2 | 1.478 (8) | O2—Co1v | 2.125 (4) |
| C2—C4 | 1.374 (7) | O6—Lu1vi | 2.206 (4) |
| C2—N1 | 1.383 (7) | O7—Lu1vi | 2.261 (4) |
| C3—N1 | 1.323 (8) | N1—Co1ii | 2.147 (5) |
| C3—N2 | 1.344 (7) | N2—H1 | 0.87 (2) |
| C3—H3 | 0.9300 | N4—H2 | 0.85 (2) |
| C4—N2 | 1.374 (7) | N5—H4 | 0.85 (2) |
| C4—C5 | 1.479 (7) | O1W—H1W | 0.80 (5) |
| C5—O3 | 1.256 (7) | O1W—H2W | 0.81 (5) |
| C5—O4 | 1.260 (7) | O2W—H3W | 0.81 (5) |
| C6—O6 | 1.258 (7) | O2W—H4W | 0.80 (6) |
| C6—O5 | 1.262 (6) | O3W—H5W | 0.86 (5) |
| C6—C7 | 1.481 (7) | O3W—H6W | 0.86 (6) |
| C7—C9 | 1.382 (8) | ||
| O9—Lu1—O6i | 168.24 (15) | O6—C6—C7 | 121.6 (5) |
| O9—Lu1—O3 | 80.23 (15) | O5—C6—C7 | 116.0 (5) |
| O6i—Lu1—O3 | 89.91 (15) | C9—C7—N3 | 109.7 (5) |
| O9—Lu1—O7i | 104.39 (15) | C9—C7—C6 | 136.0 (5) |
| O6i—Lu1—O7i | 80.05 (14) | N3—C7—C6 | 114.2 (5) |
| O3—Lu1—O7i | 144.82 (15) | N3—C8—N4 | 109.9 (5) |
| O9—Lu1—O1 | 103.10 (16) | N3—C8—H8 | 125.1 |
| O6i—Lu1—O1 | 80.68 (15) | N4—C8—H8 | 125.1 |
| O3—Lu1—O1 | 77.20 (14) | N4—C9—C7 | 103.9 (5) |
| O7i—Lu1—O1 | 132.94 (14) | N4—C9—C10 | 121.1 (5) |
| O9—Lu1—O11 | 80.95 (15) | C7—C9—C10 | 134.9 (5) |
| O6i—Lu1—O11 | 110.81 (14) | O8—C10—O7 | 122.9 (5) |
| O3—Lu1—O11 | 140.82 (15) | O8—C10—C9 | 118.6 (5) |
| O7i—Lu1—O11 | 73.48 (15) | O7—C10—C9 | 118.5 (5) |
| O1—Lu1—O11 | 74.08 (14) | O10—C11—O9 | 125.5 (5) |
| O9—Lu1—O2W | 88.27 (17) | O10—C11—C12 | 118.2 (5) |
| O6i—Lu1—O2W | 82.72 (17) | O9—C11—C12 | 116.1 (5) |
| O3—Lu1—O2W | 73.16 (15) | C14—C12—N5 | 104.4 (5) |
| O7i—Lu1—O2W | 72.16 (15) | C14—C12—C11 | 134.2 (5) |
| O1—Lu1—O2W | 145.87 (15) | N5—C12—C11 | 121.2 (5) |
| O11—Lu1—O2W | 139.98 (15) | N6—C13—N5 | 110.3 (5) |
| N3—Co1—O2ii | 167.15 (17) | N6—C13—H13 | 124.8 |
| N3—Co1—O5 | 76.85 (16) | N5—C13—H13 | 124.8 |
| O2ii—Co1—O5 | 95.95 (15) | C12—C14—N6 | 109.5 (5) |
| N3—Co1—O2iii | 112.98 (17) | C12—C14—C15 | 135.0 (5) |
| O2ii—Co1—O2iii | 76.14 (16) | N6—C14—C15 | 115.2 (5) |
| O5—Co1—O2iii | 83.14 (15) | O12—C15—O11 | 123.1 (5) |
| N3—Co1—O4 | 97.10 (17) | O12—C15—C14 | 116.4 (5) |
| O2ii—Co1—O4 | 93.03 (15) | O11—C15—C14 | 120.5 (5) |
| O5—Co1—O4 | 160.66 (16) | C1—O1—Lu1 | 142.1 (4) |
| O2iii—Co1—O4 | 82.44 (15) | C1—O2—Co1ii | 117.9 (3) |
| N3—Co1—N1ii | 95.80 (18) | C1—O2—Co1v | 132.2 (4) |
| O2ii—Co1—N1ii | 76.66 (16) | Co1ii—O2—Co1v | 103.86 (16) |
| O5—Co1—N1ii | 111.04 (17) | C5—O3—Lu1 | 144.9 (4) |
| O2iii—Co1—N1ii | 150.45 (16) | C5—O4—Co1 | 130.4 (4) |
| O4—Co1—N1ii | 87.67 (17) | C6—O5—Co1 | 117.4 (4) |
| N6—Co2—N6iv | 180.0 (2) | C6—O6—Lu1vi | 138.2 (4) |
| N6—Co2—O1Wiv | 93.28 (18) | C10—O7—Lu1vi | 139.6 (4) |
| N6iv—Co2—O1Wiv | 86.72 (18) | C11—O9—Lu1 | 149.6 (4) |
| N6—Co2—O1W | 86.72 (18) | C15—O11—Lu1 | 134.8 (4) |
| N6iv—Co2—O1W | 93.28 (18) | C15—O12—Co2 | 116.7 (4) |
| O1Wiv—Co2—O1W | 180.0 | C3—N1—C2 | 105.8 (5) |
| N6—Co2—O12iv | 102.48 (16) | C3—N1—Co1ii | 136.7 (4) |
| N6iv—Co2—O12iv | 77.52 (16) | C2—N1—Co1ii | 110.0 (4) |
| O1Wiv—Co2—O12iv | 91.60 (16) | C3—N2—C4 | 107.8 (5) |
| O1W—Co2—O12iv | 88.40 (16) | C3—N2—H1 | 124 (4) |
| N6—Co2—O12 | 77.52 (16) | C4—N2—H1 | 127 (4) |
| N6iv—Co2—O12 | 102.48 (16) | C8—N3—C7 | 106.3 (5) |
| O1Wiv—Co2—O12 | 88.40 (16) | C8—N3—Co1 | 138.1 (4) |
| O1W—Co2—O12 | 91.60 (16) | C7—N3—Co1 | 115.6 (4) |
| O12iv—Co2—O12 | 180.0 (2) | C8—N4—C9 | 110.2 (5) |
| O1—C1—O2 | 123.3 (5) | C8—N4—H2 | 124 (4) |
| O1—C1—C2 | 122.4 (5) | C9—N4—H2 | 126 (4) |
| O2—C1—C2 | 114.3 (5) | C13—N5—C12 | 109.3 (5) |
| C4—C2—N1 | 109.3 (5) | C13—N5—H4 | 133 (4) |
| C4—C2—C1 | 133.0 (5) | C12—N5—H4 | 118 (4) |
| N1—C2—C1 | 117.3 (5) | C13—N6—C14 | 106.5 (5) |
| N1—C3—N2 | 111.4 (5) | C13—N6—Co2 | 138.4 (4) |
| N1—C3—H3 | 124.3 | C14—N6—Co2 | 113.9 (3) |
| N2—C3—H3 | 124.3 | Co2—O1W—H1W | 111 (5) |
| C2—C4—N2 | 105.7 (5) | Co2—O1W—H2W | 114 (5) |
| C2—C4—C5 | 133.4 (5) | H1W—O1W—H2W | 107 (3) |
| N2—C4—C5 | 120.3 (5) | Lu1—O2W—H3W | 119 (4) |
| O3—C5—O4 | 124.3 (5) | Lu1—O2W—H4W | 133 (4) |
| O3—C5—C4 | 119.3 (5) | H3W—O2W—H4W | 108 (3) |
| O4—C5—C4 | 116.4 (5) | H5W—O3W—H6W | 107 (3) |
| O6—C6—O5 | 122.4 (5) |
| H··· | ||||
| N2—H1···O5vii | 0.86 (4) | 2.04 (4) | 2.900 (6) | 175 (5) |
| N2—H1···O6vii | 0.86 (4) | 2.59 (5) | 3.139 (6) | 122 (4) |
| O1W—H1W···O8v | 0.80 (5) | 2.04 (5) | 2.806 (6) | 161 (6) |
| N4—H2···O1Wiii | 0.85 (4) | 2.12 (3) | 2.948 (6) | 162 (5) |
| N4—H2···O10 | 0.85 (4) | 2.57 (6) | 3.016 (7) | 114 (4) |
| O1W—H2W···O8viii | 0.81 (5) | 1.94 (6) | 2.748 (6) | 174 (6) |
| O2W—H3W···O3W | 0.81 (5) | 1.89 (5) | 2.693 (6) | 172 (7) |
| N5—H4···O8ix | 0.85 (4) | 2.23 (4) | 3.052 (6) | 161 (5) |
| O2W—H4W···O10x | 0.80 (6) | 2.06 (6) | 2.851 (7) | 171 (6) |
| O3W—H5W···O11iii | 0.86 (5) | 2.06 (6) | 2.902 (6) | 166 (5) |
| O3W—H6W···O4 | 0.86 (6) | 2.10 (6) | 2.928 (6) | 163 (6) |
| C8—H8···O3 | 0.93 | 2.44 | 3.217 (7) | 141. |
| C8—H8···O9 | 0.93 | 2.39 | 3.190 (7) | 144. |
| C13—H13···O2Wxi | 0.93 | 2.42 | 3.352 (7) | 178. |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| N2—H1⋯O5i | 0.86 (4) | 2.04 (4) | 2.900 (6) | 175 (5) |
| N2—H1⋯O6i | 0.86 (4) | 2.59 (5) | 3.139 (6) | 122 (4) |
| O1 | 0.80 (5) | 2.04 (5) | 2.806 (6) | 161 (6) |
| N4—H2⋯O1 | 0.85 (4) | 2.12 (3) | 2.948 (6) | 162 (5) |
| N4—H2⋯O10 | 0.85 (4) | 2.57 (6) | 3.016 (7) | 114 (4) |
| O1 | 0.81 (5) | 1.94 (6) | 2.748 (6) | 174 (6) |
| O2 | 0.81 (5) | 1.89 (5) | 2.693 (6) | 172 (7) |
| N5—H4⋯O8v | 0.85 (4) | 2.23 (4) | 3.052 (6) | 161 (5) |
| O2 | 0.80 (6) | 2.06 (6) | 2.851 (7) | 171 (6) |
| O3 | 0.86 (5) | 2.06 (6) | 2.902 (6) | 166 (5) |
| O3 | 0.86 (6) | 2.10 (6) | 2.928 (6) | 163 (6) |
| C8—H8⋯O3 | 0.93 | 2.44 | 3.217 (7) | 141 |
| C8—H8⋯O9 | 0.93 | 2.39 | 3.190 (7) | 144 |
| C13—H13⋯O2 | 0.93 | 2.42 | 3.352 (7) | 178 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) .