| Literature DB >> 21583325 |
Bi-Yi Xu, Ting Xie, Sheng-Jun Lu, Bin Xue, Wei Li.
Abstract
In the title compound, [Mn(2)(C(8)H(3)NO(6))(2)(C(12)H(8)N(2))(2)(H(2)O)(4)], the Mn(II) atom in the centrosymmetric binuclear unit has a distorted octa-hedral geometry and is coordinated by a chelating 1,10-phenanthroline ligand, two monodentate carboxyl-ate anions from two 4-nitro-phthalates and two coordinated water mol-ecules. The two Mn(II) ions in the mol-ecule are bridged by two 4-nitro-phthalate anions, both in a bis-monodentate mode, which finally leads to the formation of the binuclear unit. Intra-molecular O-H⋯O hydrogen bonds between the coordinated and uncoordinated O atoms of one monodentate carboxyl-ate group and the corresponding coordinated water mol-ecules result in an eight-membered and two six-membered rings. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the dinuclear mol-ecules into supra-molecular chains propagating parallel to [100].Entities:
Year: 2009 PMID: 21583325 PMCID: PMC2977488 DOI: 10.1107/S1600536809024064
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Mn2(C8H3NO6)2(C12H8N2)2(H2O)4] | |
| Orthorhombic, | Mo |
| Hall symbol: -P 2ac 2ab | Cell parameters from 4478 reflections |
| θ = 2.5–23.3° | |
| µ = 0.75 mm−1 | |
| Sheet, yellow | |
| 0.30 × 0.15 × 0.05 mm |
| Bruker APEXII CCD area-detector diffractometer | 3416 independent reflections |
| Radiation source: fine-focus sealed tube | 2608 reflections with |
| graphite | |
| φ and ω scans | θmax = 25.2°, θmin = 1.5° |
| Absorption correction: multi-scan ( | |
| 27311 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 | |
| 3416 reflections | (Δ/σ)max = 0.001 |
| 305 parameters | Δρmax = 0.39 e Å−3 |
| 4 restraints | Δρmin = −0.34 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 |
| Mn1 | 0.60706 (5) | −0.01188 (2) | 0.092001 (13) | 0.02468 (15) | |
| O1 | 0.5576 (2) | 0.07756 (9) | 0.04921 (6) | 0.0285 (4) | |
| O3 | 0.6721 (3) | 0.04306 (9) | −0.07937 (7) | 0.0316 (4) | |
| O4 | 0.9042 (3) | 0.06002 (10) | −0.02534 (7) | 0.0373 (5) | |
| O1W | 0.7016 (3) | −0.06823 (10) | 0.02586 (7) | 0.0319 (5) | |
| O2 | 0.7356 (3) | 0.15076 (10) | 0.09074 (7) | 0.0426 (5) | |
| O2W | 0.9075 (3) | 0.01824 (10) | 0.09875 (7) | 0.0313 (5) | |
| O5 | 0.6617 (3) | 0.36361 (11) | −0.11306 (9) | 0.0513 (6) | |
| N3 | 0.6745 (3) | −0.10062 (11) | 0.14296 (7) | 0.0280 (5) | |
| N2 | 0.5723 (3) | 0.02382 (11) | 0.17303 (8) | 0.0273 (5) | |
| N1 | 0.6741 (3) | 0.30363 (12) | −0.11986 (10) | 0.0405 (6) | |
| C13 | 0.6103 (3) | −0.02215 (12) | 0.20908 (9) | 0.0228 (6) | |
| C2 | 0.6986 (3) | 0.14993 (12) | −0.04068 (9) | 0.0230 (6) | |
| C7 | 0.6488 (4) | 0.13194 (13) | 0.05290 (9) | 0.0260 (6) | |
| C12 | 0.5995 (3) | −0.00806 (14) | 0.26127 (10) | 0.0298 (6) | |
| C14 | 0.6635 (3) | −0.08850 (13) | 0.19318 (9) | 0.0258 (6) | |
| C1 | 0.6516 (3) | 0.17594 (13) | 0.00669 (9) | 0.0232 (6) | |
| C5 | 0.6125 (4) | 0.28622 (14) | −0.02963 (10) | 0.0298 (6) | |
| H5 | 0.5839 | 0.3313 | −0.0263 | 0.036* | |
| C3 | 0.7018 (4) | 0.19241 (14) | −0.08173 (9) | 0.0285 (6) | |
| H3 | 0.7312 | 0.1758 | −0.1134 | 0.034* | |
| C6 | 0.6077 (3) | 0.24341 (13) | 0.01140 (10) | 0.0267 (6) | |
| H6 | 0.5744 | 0.2602 | 0.0428 | 0.032* | |
| C11 | 0.5484 (4) | 0.05711 (15) | 0.27502 (10) | 0.0347 (7) | |
| H11 | 0.5400 | 0.0688 | 0.3088 | 0.042* | |
| C15 | 0.7010 (4) | −0.13834 (14) | 0.22946 (10) | 0.0306 (6) | |
| C8 | 0.7626 (4) | 0.07836 (12) | −0.04821 (9) | 0.0244 (6) | |
| C10 | 0.5110 (4) | 0.10331 (15) | 0.23861 (11) | 0.0373 (7) | |
| H10 | 0.4772 | 0.1466 | 0.2474 | 0.045* | |
| C9 | 0.5241 (4) | 0.08472 (13) | 0.18791 (10) | 0.0327 (6) | |
| H9 | 0.4979 | 0.1166 | 0.1635 | 0.039* | |
| C4 | 0.6617 (4) | 0.25922 (13) | −0.07580 (10) | 0.0285 (6) | |
| C19 | 0.6417 (4) | −0.05922 (16) | 0.29694 (10) | 0.0370 (7) | |
| H19 | 0.6359 | −0.0497 | 0.3311 | 0.044* | |
| C17 | 0.7581 (4) | −0.21389 (15) | 0.16140 (11) | 0.0428 (7) | |
| H17 | 0.7888 | −0.2561 | 0.1494 | 0.051* | |
| C20 | 0.6903 (4) | −0.12145 (16) | 0.28170 (10) | 0.0376 (7) | |
| H20 | 0.7171 | −0.1538 | 0.3057 | 0.045* | |
| C18 | 0.7211 (4) | −0.16194 (14) | 0.12807 (11) | 0.0362 (7) | |
| H18 | 0.7293 | −0.1704 | 0.0938 | 0.043* | |
| C16 | 0.7488 (4) | −0.20209 (14) | 0.21190 (11) | 0.0407 (7) | |
| H16 | 0.7740 | −0.2362 | 0.2346 | 0.049* | |
| O6 | 0.6997 (5) | 0.27861 (13) | −0.16128 (8) | 0.0716 (8) | |
| H2A | 0.918 (5) | 0.0602 (6) | 0.0986 (13) | 0.061 (12)* | |
| H2B | 0.976 (5) | −0.0003 (17) | 0.0769 (11) | 0.067 (12)* | |
| H1A | 0.632 (4) | −0.0697 (19) | 0.0003 (9) | 0.073 (13)* | |
| H1B | 0.809 (2) | −0.0579 (18) | 0.0155 (13) | 0.066 (12)* |
| Mn1 | 0.0297 (2) | 0.0251 (3) | 0.0193 (2) | 0.00034 (16) | −0.00131 (15) | 0.00056 (15) |
| O1 | 0.0308 (10) | 0.0279 (11) | 0.0269 (10) | −0.0050 (8) | −0.0032 (7) | 0.0050 (8) |
| O3 | 0.0317 (10) | 0.0265 (11) | 0.0365 (11) | −0.0016 (8) | 0.0007 (8) | −0.0079 (8) |
| O4 | 0.0309 (11) | 0.0372 (12) | 0.0438 (12) | 0.0112 (9) | −0.0071 (9) | −0.0026 (9) |
| O1W | 0.0303 (12) | 0.0402 (13) | 0.0252 (11) | −0.0035 (9) | −0.0001 (9) | −0.0074 (9) |
| O2 | 0.0658 (15) | 0.0358 (12) | 0.0261 (11) | −0.0102 (11) | −0.0095 (10) | −0.0010 (8) |
| O2W | 0.0310 (11) | 0.0314 (13) | 0.0315 (11) | 0.0004 (9) | −0.0026 (8) | −0.0031 (9) |
| O5 | 0.0666 (15) | 0.0287 (13) | 0.0587 (14) | 0.0087 (10) | 0.0136 (12) | 0.0166 (10) |
| N3 | 0.0328 (12) | 0.0301 (13) | 0.0212 (11) | 0.0041 (10) | −0.0001 (9) | −0.0022 (9) |
| N2 | 0.0275 (12) | 0.0294 (13) | 0.0249 (12) | −0.0005 (9) | 0.0007 (9) | −0.0004 (9) |
| N1 | 0.0475 (15) | 0.0311 (16) | 0.0430 (16) | 0.0012 (11) | 0.0003 (12) | 0.0127 (12) |
| C13 | 0.0201 (13) | 0.0266 (15) | 0.0218 (13) | −0.0017 (10) | −0.0003 (10) | −0.0020 (10) |
| C2 | 0.0237 (13) | 0.0208 (14) | 0.0244 (13) | −0.0009 (10) | −0.0021 (10) | 0.0007 (10) |
| C7 | 0.0301 (14) | 0.0263 (15) | 0.0217 (14) | 0.0033 (12) | 0.0033 (11) | −0.0010 (11) |
| C12 | 0.0223 (13) | 0.0428 (18) | 0.0243 (15) | −0.0040 (12) | −0.0010 (10) | −0.0012 (12) |
| C14 | 0.0230 (13) | 0.0309 (15) | 0.0234 (14) | −0.0026 (11) | 0.0001 (10) | 0.0010 (11) |
| C1 | 0.0218 (13) | 0.0250 (15) | 0.0228 (13) | −0.0013 (10) | −0.0005 (10) | 0.0002 (10) |
| C5 | 0.0283 (14) | 0.0224 (15) | 0.0387 (16) | 0.0000 (11) | 0.0004 (11) | −0.0009 (12) |
| C3 | 0.0345 (15) | 0.0292 (16) | 0.0217 (13) | −0.0008 (12) | 0.0010 (11) | 0.0013 (11) |
| C6 | 0.0264 (13) | 0.0265 (15) | 0.0272 (14) | −0.0007 (11) | 0.0013 (10) | −0.0040 (11) |
| C11 | 0.0338 (15) | 0.0428 (18) | 0.0276 (15) | −0.0040 (13) | 0.0030 (12) | −0.0110 (13) |
| C15 | 0.0271 (14) | 0.0355 (17) | 0.0293 (15) | −0.0032 (12) | −0.0035 (11) | 0.0072 (12) |
| C8 | 0.0240 (13) | 0.0251 (14) | 0.0241 (13) | −0.0002 (11) | 0.0057 (11) | −0.0008 (11) |
| C10 | 0.0364 (16) | 0.0346 (17) | 0.0409 (17) | −0.0008 (13) | 0.0060 (13) | −0.0146 (13) |
| C9 | 0.0318 (15) | 0.0289 (16) | 0.0373 (16) | 0.0021 (12) | 0.0014 (12) | −0.0007 (12) |
| C4 | 0.0324 (14) | 0.0262 (16) | 0.0270 (14) | 0.0013 (11) | −0.0024 (11) | 0.0056 (11) |
| C19 | 0.0377 (17) | 0.053 (2) | 0.0202 (14) | −0.0070 (14) | 0.0001 (11) | 0.0009 (13) |
| C17 | 0.0522 (19) | 0.0273 (16) | 0.0489 (19) | 0.0080 (14) | −0.0047 (14) | −0.0019 (14) |
| C20 | 0.0400 (17) | 0.048 (2) | 0.0249 (15) | −0.0035 (14) | −0.0047 (12) | 0.0123 (13) |
| C18 | 0.0451 (17) | 0.0308 (17) | 0.0325 (16) | 0.0062 (13) | −0.0013 (12) | −0.0073 (12) |
| C16 | 0.0436 (17) | 0.0333 (18) | 0.0452 (18) | 0.0032 (14) | −0.0067 (14) | 0.0111 (14) |
| O6 | 0.137 (3) | 0.0484 (15) | 0.0296 (13) | −0.0022 (16) | 0.0067 (13) | 0.0073 (11) |
| Mn1—O3i | 2.1212 (19) | C7—C1 | 1.513 (3) |
| Mn1—O1 | 2.1524 (18) | C12—C11 | 1.405 (4) |
| Mn1—O1W | 2.1969 (19) | C12—C19 | 1.429 (4) |
| Mn1—O2W | 2.2413 (19) | C14—C15 | 1.414 (4) |
| Mn1—N2 | 2.284 (2) | C1—C6 | 1.394 (4) |
| Mn1—N3 | 2.287 (2) | C5—C4 | 1.387 (4) |
| O1—C7 | 1.274 (3) | C5—C6 | 1.388 (4) |
| O3—C8 | 1.267 (3) | C5—H5 | 0.9300 |
| O3—Mn1i | 2.1212 (19) | C3—C4 | 1.378 (4) |
| O4—C8 | 1.238 (3) | C3—H3 | 0.9300 |
| O1W—H1A | 0.845 (10) | C6—H6 | 0.9300 |
| O1W—H1B | 0.845 (10) | C11—C10 | 1.366 (4) |
| O2—C7 | 1.241 (3) | C11—H11 | 0.9300 |
| O2W—H2A | 0.845 (10) | C15—C16 | 1.402 (4) |
| O2W—H2B | 0.845 (10) | C15—C20 | 1.432 (4) |
| O5—N1 | 1.219 (3) | C10—C9 | 1.402 (4) |
| N3—C18 | 1.333 (3) | C10—H10 | 0.9300 |
| N3—C14 | 1.360 (3) | C9—H9 | 0.9300 |
| N2—C9 | 1.329 (3) | C19—C20 | 1.356 (4) |
| N2—C13 | 1.357 (3) | C19—H19 | 0.9300 |
| N1—O6 | 1.224 (3) | C17—C16 | 1.365 (4) |
| N1—C4 | 1.474 (3) | C17—C18 | 1.393 (4) |
| C13—C12 | 1.418 (4) | C17—H17 | 0.9300 |
| C13—C14 | 1.446 (4) | C20—H20 | 0.9300 |
| C2—C3 | 1.385 (4) | C18—H18 | 0.9300 |
| C2—C1 | 1.404 (3) | C16—H16 | 0.9300 |
| C2—C8 | 1.519 (3) | ||
| O3i—Mn1—O1 | 90.38 (7) | C15—C14—C13 | 120.0 (2) |
| O3i—Mn1—O1W | 90.70 (7) | C6—C1—C2 | 119.7 (2) |
| O1—Mn1—O1W | 93.18 (7) | C6—C1—C7 | 119.3 (2) |
| O3i—Mn1—O2W | 175.18 (7) | C2—C1—C7 | 121.0 (2) |
| O1—Mn1—O2W | 88.61 (7) | C4—C5—C6 | 117.4 (3) |
| O1W—Mn1—O2W | 84.66 (7) | C4—C5—H5 | 121.3 |
| O3i—Mn1—N2 | 97.98 (7) | C6—C5—H5 | 121.3 |
| O1—Mn1—N2 | 102.71 (7) | C4—C3—C2 | 120.2 (2) |
| O1W—Mn1—N2 | 161.78 (8) | C4—C3—H3 | 119.9 |
| O2W—Mn1—N2 | 86.83 (7) | C2—C3—H3 | 119.9 |
| O3i—Mn1—N3 | 93.66 (8) | C5—C6—C1 | 121.5 (2) |
| O1—Mn1—N3 | 174.46 (7) | C5—C6—H6 | 119.2 |
| O1W—Mn1—N3 | 90.56 (7) | C1—C6—H6 | 119.2 |
| O2W—Mn1—N3 | 87.67 (8) | C10—C11—C12 | 119.8 (3) |
| N2—Mn1—N3 | 73.00 (7) | C10—C11—H11 | 120.1 |
| C7—O1—Mn1 | 125.97 (16) | C12—C11—H11 | 120.1 |
| C8—O3—Mn1i | 138.54 (16) | C16—C15—C14 | 117.5 (2) |
| Mn1—O1W—H1A | 119 (3) | C16—C15—C20 | 123.5 (3) |
| Mn1—O1W—H1B | 115 (3) | C14—C15—C20 | 119.0 (3) |
| H1A—O1W—H1B | 107 (3) | O4—C8—O3 | 125.0 (2) |
| Mn1—O2W—H2A | 111 (3) | O4—C8—C2 | 117.5 (2) |
| Mn1—O2W—H2B | 113 (3) | O3—C8—C2 | 117.3 (2) |
| H2A—O2W—H2B | 112 (4) | C11—C10—C9 | 119.2 (3) |
| C18—N3—C14 | 118.1 (2) | C11—C10—H10 | 120.4 |
| C18—N3—Mn1 | 126.39 (17) | C9—C10—H10 | 120.4 |
| C14—N3—Mn1 | 115.52 (17) | N2—C9—C10 | 123.2 (3) |
| C9—N2—C13 | 117.7 (2) | N2—C9—H9 | 118.4 |
| C9—N2—Mn1 | 126.66 (18) | C10—C9—H9 | 118.4 |
| C13—N2—Mn1 | 115.60 (16) | C3—C4—C5 | 122.2 (2) |
| O5—N1—O6 | 123.3 (2) | C3—C4—N1 | 118.9 (2) |
| O5—N1—C4 | 118.2 (2) | C5—C4—N1 | 118.9 (2) |
| O6—N1—C4 | 118.5 (2) | C20—C19—C12 | 121.0 (3) |
| N2—C13—C12 | 123.0 (2) | C20—C19—H19 | 119.5 |
| N2—C13—C14 | 118.0 (2) | C12—C19—H19 | 119.5 |
| C12—C13—C14 | 118.9 (2) | C16—C17—C18 | 119.2 (3) |
| C3—C2—C1 | 118.9 (2) | C16—C17—H17 | 120.4 |
| C3—C2—C8 | 118.1 (2) | C18—C17—H17 | 120.4 |
| C1—C2—C8 | 122.8 (2) | C19—C20—C15 | 121.4 (3) |
| O2—C7—O1 | 125.4 (2) | C19—C20—H20 | 119.3 |
| O2—C7—C1 | 118.4 (2) | C15—C20—H20 | 119.3 |
| O1—C7—C1 | 116.3 (2) | N3—C18—C17 | 123.2 (3) |
| C11—C12—C13 | 117.0 (2) | N3—C18—H18 | 118.4 |
| C11—C12—C19 | 123.3 (3) | C17—C18—H18 | 118.4 |
| C13—C12—C19 | 119.7 (3) | C17—C16—C15 | 119.8 (3) |
| N3—C14—C15 | 122.2 (2) | C17—C16—H16 | 120.1 |
| N3—C14—C13 | 117.8 (2) | C15—C16—H16 | 120.1 |
| O3i—Mn1—O1—C7 | 156.7 (2) | C8—C2—C1—C7 | −4.5 (4) |
| O1W—Mn1—O1—C7 | −112.6 (2) | O2—C7—C1—C6 | −50.6 (3) |
| O2W—Mn1—O1—C7 | −28.0 (2) | O1—C7—C1—C6 | 130.2 (2) |
| N2—Mn1—O1—C7 | 58.4 (2) | O2—C7—C1—C2 | 129.1 (3) |
| N3—Mn1—O1—C7 | 19.8 (9) | O1—C7—C1—C2 | −50.2 (3) |
| O3i—Mn1—N3—C18 | 81.4 (2) | C1—C2—C3—C4 | 0.8 (4) |
| O1—Mn1—N3—C18 | −141.8 (7) | C8—C2—C3—C4 | −174.0 (2) |
| O1W—Mn1—N3—C18 | −9.4 (2) | C4—C5—C6—C1 | 0.4 (4) |
| O2W—Mn1—N3—C18 | −94.0 (2) | C2—C1—C6—C5 | −1.2 (4) |
| N2—Mn1—N3—C18 | 178.6 (2) | C7—C1—C6—C5 | 178.4 (2) |
| O3i—Mn1—N3—C14 | −98.02 (18) | C13—C12—C11—C10 | 0.3 (4) |
| O1—Mn1—N3—C14 | 38.8 (9) | C19—C12—C11—C10 | 179.7 (3) |
| O1W—Mn1—N3—C14 | 171.24 (18) | N3—C14—C15—C16 | −0.8 (4) |
| O2W—Mn1—N3—C14 | 86.61 (18) | C13—C14—C15—C16 | 178.9 (2) |
| N2—Mn1—N3—C14 | −0.79 (17) | N3—C14—C15—C20 | 178.7 (2) |
| O3i—Mn1—N2—C9 | −89.3 (2) | C13—C14—C15—C20 | −1.6 (4) |
| O1—Mn1—N2—C9 | 2.9 (2) | Mn1i—O3—C8—O4 | 127.8 (2) |
| O1W—Mn1—N2—C9 | 153.0 (2) | Mn1i—O3—C8—C2 | −55.9 (3) |
| O2W—Mn1—N2—C9 | 90.8 (2) | C3—C2—C8—O4 | 115.6 (3) |
| N3—Mn1—N2—C9 | 179.3 (2) | C1—C2—C8—O4 | −59.0 (3) |
| O3i—Mn1—N2—C13 | 92.61 (17) | C3—C2—C8—O3 | −61.0 (3) |
| O1—Mn1—N2—C13 | −175.18 (16) | C1—C2—C8—O3 | 124.5 (3) |
| O1W—Mn1—N2—C13 | −25.1 (3) | C12—C11—C10—C9 | 0.1 (4) |
| O2W—Mn1—N2—C13 | −87.32 (17) | C13—N2—C9—C10 | 0.0 (4) |
| N3—Mn1—N2—C13 | 1.20 (16) | Mn1—N2—C9—C10 | −178.07 (19) |
| C9—N2—C13—C12 | 0.4 (3) | C11—C10—C9—N2 | −0.2 (4) |
| Mn1—N2—C13—C12 | 178.70 (17) | C2—C3—C4—C5 | −1.7 (4) |
| C9—N2—C13—C14 | −179.8 (2) | C2—C3—C4—N1 | 177.5 (2) |
| Mn1—N2—C13—C14 | −1.5 (3) | C6—C5—C4—C3 | 1.0 (4) |
| Mn1—O1—C7—O2 | −25.1 (4) | C6—C5—C4—N1 | −178.1 (2) |
| Mn1—O1—C7—C1 | 154.09 (16) | O5—N1—C4—C3 | −170.9 (3) |
| N2—C13—C12—C11 | −0.6 (4) | O6—N1—C4—C3 | 7.8 (4) |
| C14—C13—C12—C11 | 179.6 (2) | O5—N1—C4—C5 | 8.3 (4) |
| N2—C13—C12—C19 | −180.0 (2) | O6—N1—C4—C5 | −173.0 (3) |
| C14—C13—C12—C19 | 0.2 (3) | C11—C12—C19—C20 | 179.9 (3) |
| C18—N3—C14—C15 | 0.5 (4) | C13—C12—C19—C20 | −0.7 (4) |
| Mn1—N3—C14—C15 | 179.98 (19) | C12—C19—C20—C15 | 0.0 (4) |
| C18—N3—C14—C13 | −179.1 (2) | C16—C15—C20—C19 | −179.4 (3) |
| Mn1—N3—C14—C13 | 0.3 (3) | C14—C15—C20—C19 | 1.2 (4) |
| N2—C13—C14—N3 | 0.8 (3) | C14—N3—C18—C17 | 0.2 (4) |
| C12—C13—C14—N3 | −179.4 (2) | Mn1—N3—C18—C17 | −179.2 (2) |
| N2—C13—C14—C15 | −178.9 (2) | C16—C17—C18—N3 | −0.7 (5) |
| C12—C13—C14—C15 | 0.9 (3) | C18—C17—C16—C15 | 0.5 (4) |
| C3—C2—C1—C6 | 0.6 (3) | C14—C15—C16—C17 | 0.2 (4) |
| C8—C2—C1—C6 | 175.1 (2) | C20—C15—C16—C17 | −179.2 (3) |
| C3—C2—C1—C7 | −179.0 (2) |
| H··· | ||||
| O2W—H2A···O2 | 0.85 (1) | 2.25 (3) | 2.935 (3) | 139 (3) |
| O2W—H2B···O4ii | 0.85 (1) | 2.01 (1) | 2.844 (3) | 167 (4) |
| O1W—H1A···O1i | 0.85 (1) | 1.90 (1) | 2.732 (2) | 170 (4) |
| O1W—H1B···O4ii | 0.85 (1) | 2.07 (2) | 2.827 (3) | 149 (3) |
Selected bond lengths (Å)
| Mn1—O3i | 2.1212 (19) |
| Mn1—O1 | 2.1524 (18) |
| Mn1—O1 | 2.1969 (19) |
| Mn1—O2 | 2.2413 (19) |
| Mn1—N2 | 2.284 (2) |
| Mn1—N3 | 2.287 (2) |
Symmetry code: (i) .
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O2 | 0.845 (10) | 2.25 (3) | 2.935 (3) | 139 (3) |
| O2 | 0.845 (10) | 2.012 (13) | 2.844 (3) | 167 (4) |
| O1 | 0.845 (10) | 1.896 (12) | 2.732 (2) | 170 (4) |
| O1 | 0.845 (10) | 2.07 (2) | 2.827 (3) | 149 (3) |
Symmetry codes: (i) ; (ii) .