| Literature DB >> 22090872 |
Yuhua Guo1, Jianping Huang, Yong Huang, Junyue Wang, Youzhu Yu.
Abstract
In the title complex, [Mn(II)Mn(III) (2)(C(11)H(13)NO(4))(2)(CH(3)CO(2))(4)(H(2)O)(2)]·2CH(3)CN·2H(2)O, there are two Mn(III) and one Mn(II) atoms. The Mn(II) atom lies on an inversion center and the Mn(III)-Mn(II)-Mn(III) angle is therefore 180°, as required by crystallographic symmetry. The Mn(III) and Mn(II) atoms are six-coordinated in a distorted octa-hedral geometry. In the crystal, complex mol-ecules and solvent mol-ecules are linked into a three-dimensional network by O-H⋯O and O-H⋯N hydrogen-bonding inter-actions.Entities:
Year: 2011 PMID: 22090872 PMCID: PMC3212170 DOI: 10.1107/S1600536811027899
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Mn3(C11H13NO4)2(C2H3O2)4(H2O)2]·2C2H3N·2H2O | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 9948 reflections |
| θ = 2.4–28.4° | |
| µ = 0.94 mm−1 | |
| β = 118.856 (3)° | Block, black |
| 0.20 × 0.20 × 0.20 mm | |
| Bruker APEXII CCD diffractometer | 3798 reflections with |
| Radiation source: fine-focus sealed tube | |
| graphite | θmax = 28.6°, θmin = 2.1° |
| φ and ω scans | |
| 53356 measured reflections | |
| 5507 independent 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 | |
| 5507 reflections | (Δ/σ)max = 0.024 |
| 294 parameters | Δρmax = 0.72 e Å−3 |
| 7 restraints | Δρmin = −0.61 e Å−3 |
| C1 | −0.1569 (3) | 0.8511 (2) | 0.84008 (18) | 0.0317 (6) | |
| C2 | −0.2687 (4) | 0.8090 (3) | 0.8512 (2) | 0.0419 (8) | |
| H2A | −0.2506 | 0.7888 | 0.9020 | 0.050* | |
| C3 | −0.4053 (4) | 0.7971 (3) | 0.7877 (2) | 0.0548 (10) | |
| H3A | −0.4788 | 0.7710 | 0.7966 | 0.066* | |
| C4 | −0.4352 (4) | 0.8235 (4) | 0.7105 (3) | 0.0604 (11) | |
| H4 | −0.5274 | 0.8140 | 0.6680 | 0.072* | |
| C5 | −0.3275 (4) | 0.8635 (3) | 0.6980 (2) | 0.0475 (9) | |
| H5 | −0.3469 | 0.8808 | 0.6465 | 0.057* | |
| C6 | −0.1874 (3) | 0.8789 (2) | 0.76201 (18) | 0.0345 (7) | |
| C7 | −0.0836 (3) | 0.9291 (2) | 0.74451 (18) | 0.0334 (6) | |
| H7 | −0.1103 | 0.9400 | 0.6911 | 0.040* | |
| C9 | 0.1393 (3) | 1.0157 (3) | 0.77120 (18) | 0.0352 (7) | |
| C10 | 0.0585 (4) | 1.0849 (3) | 0.6962 (2) | 0.0464 (9) | |
| H10A | 0.1265 | 1.1269 | 0.6868 | 0.056* | |
| H10B | 0.0049 | 1.0376 | 0.6506 | 0.056* | |
| C11 | 0.2297 (4) | 0.9275 (3) | 0.7590 (2) | 0.0486 (9) | |
| H11A | 0.2880 | 0.9621 | 0.7388 | 0.058* | |
| H11B | 0.2946 | 0.8953 | 0.8102 | 0.058* | |
| C12 | 0.2357 (3) | 1.0870 (3) | 0.84214 (18) | 0.0342 (7) | |
| H12A | 0.3199 | 1.1091 | 0.8382 | 0.041* | |
| H12B | 0.1840 | 1.1525 | 0.8422 | 0.041* | |
| C13 | 0.3707 (3) | 0.7594 (2) | 0.94069 (19) | 0.0357 (7) | |
| C14 | 0.3997 (5) | 0.6436 (3) | 0.9255 (4) | 0.0821 (17) | |
| H14A | 0.4021 | 0.6404 | 0.8761 | 0.123* | |
| H14B | 0.3248 | 0.5965 | 0.9226 | 0.123* | |
| H14C | 0.4907 | 0.6200 | 0.9682 | 0.123* | |
| C15 | 0.3292 (3) | 0.9424 (2) | 1.09183 (17) | 0.0315 (6) | |
| C16 | 0.3403 (4) | 0.9114 (3) | 1.1703 (2) | 0.0440 (8) | |
| H16A | 0.4374 | 0.9225 | 1.2120 | 0.066* | |
| H16B | 0.3147 | 0.8358 | 1.1690 | 0.066* | |
| H16C | 0.2761 | 0.9561 | 1.1801 | 0.066* | |
| C17 | 0.1100 (6) | 0.8401 (4) | 0.5308 (3) | 0.0706 (13) | |
| H17B | 0.0142 | 0.8391 | 0.4864 | 0.106* | |
| H17A | 0.1057 | 0.8323 | 0.5794 | 0.106* | |
| H17C | 0.1644 | 0.7806 | 0.5258 | 0.106* | |
| C18 | 0.1775 (5) | 0.9407 (4) | 0.5317 (3) | 0.0742 (14) | |
| H9A | 0.082 (4) | 1.158 (2) | 0.938 (3) | 0.111* | |
| H9B | −0.014 (5) | 1.099 (3) | 0.953 (3) | 0.111* | |
| H10C | 0.320 (2) | 0.242 (4) | 0.984 (3) | 0.111* | |
| H10D | 0.235 (5) | 0.327 (3) | 0.987 (3) | 0.111* | |
| N1 | 0.0433 (3) | 0.9604 (2) | 0.79651 (14) | 0.0299 (5) | |
| N2 | 0.2282 (7) | 1.0199 (4) | 0.5303 (5) | 0.146 (3) | |
| O1 | −0.0288 (2) | 0.86304 (18) | 0.90298 (12) | 0.0356 (5) | |
| O2 | 0.1473 (4) | 0.8430 (3) | 0.7059 (2) | 0.0775 (9) | |
| H2 | 0.1298 | 0.7957 | 0.7305 | 0.116* | |
| O3 | −0.0374 (3) | 1.1568 (2) | 0.70565 (16) | 0.0569 (7) | |
| H3 | −0.0849 | 1.1909 | 0.6642 | 0.085* | |
| O4 | 0.2792 (2) | 1.02733 (16) | 0.91436 (11) | 0.0290 (4) | |
| O5 | 0.4759 (2) | 0.82092 (18) | 0.97622 (15) | 0.0466 (6) | |
| O6 | 0.2412 (2) | 0.78562 (16) | 0.91590 (13) | 0.0359 (5) | |
| O7 | 0.4363 (2) | 0.9780 (2) | 1.08976 (14) | 0.0480 (6) | |
| O8 | 0.2062 (2) | 0.92758 (18) | 1.03081 (12) | 0.0358 (5) | |
| O9 | 0.0281 (3) | 1.10148 (19) | 0.92495 (16) | 0.0451 (6) | |
| O10 | 0.2353 (3) | 0.2668 (3) | 0.9640 (2) | 0.0640 (8) | |
| Mn1 | 0.13180 (4) | 0.94343 (3) | 0.91490 (2) | 0.02691 (13) | |
| Mn2 | 0.5000 | 1.0000 | 1.0000 | 0.02878 (16) |
| C1 | 0.0261 (14) | 0.0260 (14) | 0.0358 (16) | −0.0014 (11) | 0.0091 (12) | −0.0011 (11) |
| C2 | 0.0379 (17) | 0.0424 (18) | 0.0430 (19) | −0.0061 (14) | 0.0176 (15) | 0.0013 (14) |
| C3 | 0.0326 (17) | 0.061 (2) | 0.064 (3) | −0.0180 (17) | 0.0181 (17) | −0.0055 (19) |
| C4 | 0.0317 (18) | 0.069 (3) | 0.057 (2) | −0.0176 (18) | 0.0032 (17) | −0.003 (2) |
| C5 | 0.0363 (18) | 0.050 (2) | 0.0377 (19) | −0.0101 (15) | 0.0030 (14) | −0.0016 (15) |
| C6 | 0.0258 (14) | 0.0306 (15) | 0.0382 (17) | −0.0024 (12) | 0.0085 (12) | −0.0031 (12) |
| C7 | 0.0313 (15) | 0.0351 (16) | 0.0260 (14) | 0.0012 (12) | 0.0075 (12) | 0.0006 (12) |
| C9 | 0.0302 (15) | 0.0398 (16) | 0.0328 (16) | −0.0026 (13) | 0.0129 (13) | 0.0056 (13) |
| C10 | 0.0397 (18) | 0.055 (2) | 0.0352 (18) | −0.0057 (16) | 0.0104 (15) | 0.0132 (15) |
| C11 | 0.049 (2) | 0.059 (2) | 0.042 (2) | 0.0034 (17) | 0.0253 (17) | −0.0003 (16) |
| C12 | 0.0273 (14) | 0.0342 (15) | 0.0340 (16) | −0.0017 (12) | 0.0092 (12) | 0.0082 (12) |
| C13 | 0.0308 (15) | 0.0274 (14) | 0.0443 (18) | −0.0002 (12) | 0.0145 (14) | −0.0049 (13) |
| C14 | 0.045 (2) | 0.040 (2) | 0.139 (5) | 0.0000 (17) | 0.026 (3) | −0.030 (3) |
| C15 | 0.0321 (15) | 0.0281 (14) | 0.0313 (15) | 0.0043 (12) | 0.0130 (12) | −0.0022 (12) |
| C16 | 0.0445 (19) | 0.0471 (19) | 0.0348 (18) | 0.0055 (15) | 0.0148 (15) | 0.0028 (14) |
| C17 | 0.102 (4) | 0.049 (2) | 0.069 (3) | −0.006 (2) | 0.047 (3) | −0.004 (2) |
| C18 | 0.074 (3) | 0.047 (2) | 0.087 (3) | 0.001 (2) | 0.027 (3) | 0.011 (2) |
| N1 | 0.0262 (12) | 0.0323 (13) | 0.0284 (12) | −0.0012 (10) | 0.0110 (10) | 0.0024 (10) |
| N2 | 0.124 (5) | 0.065 (3) | 0.225 (8) | −0.021 (3) | 0.065 (5) | 0.031 (4) |
| O1 | 0.0247 (10) | 0.0422 (12) | 0.0327 (11) | −0.0046 (9) | 0.0080 (9) | 0.0057 (9) |
| O2 | 0.101 (3) | 0.072 (2) | 0.068 (2) | −0.0063 (19) | 0.047 (2) | −0.0187 (17) |
| O3 | 0.0442 (14) | 0.0612 (17) | 0.0493 (15) | 0.0126 (12) | 0.0099 (12) | 0.0258 (13) |
| O4 | 0.0218 (9) | 0.0311 (10) | 0.0286 (10) | 0.0003 (8) | 0.0078 (8) | 0.0061 (8) |
| O5 | 0.0310 (11) | 0.0290 (11) | 0.0633 (16) | −0.0016 (9) | 0.0096 (11) | −0.0065 (11) |
| O6 | 0.0285 (10) | 0.0283 (10) | 0.0440 (13) | −0.0011 (8) | 0.0120 (9) | −0.0063 (9) |
| O7 | 0.0313 (12) | 0.0740 (17) | 0.0372 (13) | −0.0035 (12) | 0.0152 (10) | −0.0003 (12) |
| O8 | 0.0306 (11) | 0.0434 (12) | 0.0291 (11) | −0.0049 (9) | 0.0109 (9) | −0.0004 (9) |
| O9 | 0.0436 (14) | 0.0384 (13) | 0.0596 (16) | 0.0039 (10) | 0.0299 (12) | −0.0016 (11) |
| O10 | 0.0495 (16) | 0.0581 (18) | 0.081 (2) | 0.0004 (13) | 0.0286 (16) | −0.0148 (15) |
| Mn1 | 0.0215 (2) | 0.0281 (2) | 0.0258 (2) | −0.00170 (16) | 0.00718 (17) | 0.00117 (17) |
| Mn2 | 0.0204 (3) | 0.0280 (3) | 0.0314 (3) | −0.0005 (2) | 0.0073 (2) | −0.0008 (2) |
| C1—O1 | 1.319 (3) | C14—H14B | 0.9600 |
| C1—C2 | 1.400 (4) | C14—H14C | 0.9600 |
| C1—C6 | 1.411 (4) | C15—O7 | 1.234 (4) |
| C2—C3 | 1.378 (5) | C15—O8 | 1.276 (3) |
| C2—H2A | 0.9300 | C15—C16 | 1.498 (4) |
| C3—C4 | 1.393 (6) | C16—H16A | 0.9600 |
| C3—H3A | 0.9300 | C16—H16B | 0.9600 |
| C4—C5 | 1.365 (5) | C16—H16C | 0.9600 |
| C4—H4 | 0.9300 | C17—C18 | 1.418 (6) |
| C5—C6 | 1.410 (4) | C17—H17B | 0.9600 |
| C5—H5 | 0.9300 | C17—H17A | 0.9600 |
| C6—C7 | 1.434 (4) | C17—H17C | 0.9600 |
| C7—N1 | 1.287 (4) | C18—N2 | 1.113 (6) |
| C7—H7 | 0.9300 | N1—Mn1 | 2.004 (2) |
| C9—N1 | 1.484 (4) | O1—Mn1 | 1.882 (2) |
| C9—C12 | 1.520 (4) | O2—H2 | 0.8200 |
| C9—C10 | 1.525 (4) | O3—H3 | 0.8200 |
| C9—C11 | 1.533 (5) | O4—Mn1 | 1.8729 (19) |
| C10—O3 | 1.420 (5) | O4—Mn2 | 2.1395 (18) |
| C10—H10A | 0.9700 | O5—Mn2 | 2.223 (2) |
| C10—H10B | 0.9700 | O6—Mn1 | 2.244 (2) |
| C11—O2 | 1.416 (5) | O7—Mn2 | 2.147 (2) |
| C11—H11A | 0.9700 | O8—Mn1 | 1.975 (2) |
| C11—H11B | 0.9700 | O9—Mn1 | 2.275 (2) |
| C12—O4 | 1.429 (3) | O9—H9A | 0.851 (10) |
| C12—H12A | 0.9700 | O9—H9B | 0.851 (10) |
| C12—H12B | 0.9700 | O10—H10C | 0.851 (10) |
| C13—O5 | 1.241 (4) | O10—H10D | 0.849 (10) |
| C13—O6 | 1.258 (4) | Mn2—O4i | 2.1395 (18) |
| C13—C14 | 1.505 (5) | Mn2—O7i | 2.147 (2) |
| C14—H14A | 0.9600 | Mn2—O5i | 2.223 (2) |
| O1—C1—C2 | 118.4 (3) | H16A—C16—H16B | 109.5 |
| O1—C1—C6 | 123.4 (3) | C15—C16—H16C | 109.5 |
| C2—C1—C6 | 118.2 (3) | H16A—C16—H16C | 109.5 |
| C3—C2—C1 | 120.7 (3) | H16B—C16—H16C | 109.5 |
| C3—C2—H2A | 119.7 | C18—C17—H17B | 109.5 |
| C1—C2—H2A | 119.7 | C18—C17—H17A | 109.5 |
| C2—C3—C4 | 121.1 (3) | H17B—C17—H17A | 109.5 |
| C2—C3—H3A | 119.4 | C18—C17—H17C | 109.5 |
| C4—C3—H3A | 119.4 | H17B—C17—H17C | 109.5 |
| C5—C4—C3 | 119.3 (3) | H17A—C17—H17C | 109.5 |
| C5—C4—H4 | 120.4 | N2—C18—C17 | 178.1 (7) |
| C3—C4—H4 | 120.4 | C7—N1—C9 | 120.5 (3) |
| C4—C5—C6 | 120.9 (3) | C7—N1—Mn1 | 126.1 (2) |
| C4—C5—H5 | 119.6 | C9—N1—Mn1 | 113.37 (18) |
| C6—C5—H5 | 119.6 | C1—O1—Mn1 | 129.90 (19) |
| C5—C6—C1 | 119.8 (3) | C11—O2—H2 | 109.5 |
| C5—C6—C7 | 117.3 (3) | C10—O3—H3 | 109.5 |
| C1—C6—C7 | 122.8 (3) | C12—O4—Mn1 | 113.83 (16) |
| N1—C7—C6 | 125.4 (3) | C12—O4—Mn2 | 122.99 (17) |
| N1—C7—H7 | 117.3 | Mn1—O4—Mn2 | 121.17 (9) |
| C6—C7—H7 | 117.3 | C13—O5—Mn2 | 133.8 (2) |
| N1—C9—C12 | 103.9 (2) | C13—O6—Mn1 | 133.38 (19) |
| N1—C9—C10 | 113.5 (3) | C15—O7—Mn2 | 136.1 (2) |
| C12—C9—C10 | 110.8 (3) | C15—O8—Mn1 | 133.9 (2) |
| N1—C9—C11 | 108.0 (3) | Mn1—O9—H9A | 116 (2) |
| C12—C9—C11 | 109.8 (3) | Mn1—O9—H9B | 116 (3) |
| C10—C9—C11 | 110.7 (3) | H9A—O9—H9B | 109 (2) |
| O3—C10—C9 | 109.5 (3) | H10C—O10—H10D | 110 (3) |
| O3—C10—H10A | 109.8 | O4—Mn1—O1 | 173.45 (9) |
| C9—C10—H10A | 109.8 | O4—Mn1—O8 | 100.27 (9) |
| O3—C10—H10B | 109.8 | O1—Mn1—O8 | 86.11 (9) |
| C9—C10—H10B | 109.8 | O4—Mn1—N1 | 82.72 (9) |
| H10A—C10—H10B | 108.2 | O1—Mn1—N1 | 90.84 (9) |
| O2—C11—C9 | 114.0 (3) | O8—Mn1—N1 | 176.23 (10) |
| O2—C11—H11A | 108.8 | O4—Mn1—O6 | 92.33 (8) |
| C9—C11—H11A | 108.8 | O1—Mn1—O6 | 89.24 (9) |
| O2—C11—H11B | 108.8 | O8—Mn1—O6 | 88.97 (9) |
| C9—C11—H11B | 108.8 | N1—Mn1—O6 | 93.22 (9) |
| H11A—C11—H11B | 107.6 | O4—Mn1—O9 | 88.58 (9) |
| O4—C12—C9 | 109.7 (2) | O1—Mn1—O9 | 90.39 (9) |
| O4—C12—H12A | 109.7 | O8—Mn1—O9 | 86.27 (9) |
| C9—C12—H12A | 109.7 | N1—Mn1—O9 | 91.54 (10) |
| O4—C12—H12B | 109.7 | O6—Mn1—O9 | 175.23 (9) |
| C9—C12—H12B | 109.7 | O4i—Mn2—O4 | 180.000 (1) |
| H12A—C12—H12B | 108.2 | O4i—Mn2—O7i | 89.03 (8) |
| O5—C13—O6 | 125.6 (3) | O4—Mn2—O7i | 90.98 (8) |
| O5—C13—C14 | 117.5 (3) | O4i—Mn2—O7 | 90.97 (8) |
| O6—C13—C14 | 117.0 (3) | O4—Mn2—O7 | 89.02 (8) |
| C13—C14—H14A | 109.5 | O7i—Mn2—O7 | 180.000 (1) |
| C13—C14—H14B | 109.5 | O4i—Mn2—O5 | 88.78 (8) |
| H14A—C14—H14B | 109.5 | O4—Mn2—O5 | 91.22 (8) |
| C13—C14—H14C | 109.5 | O7i—Mn2—O5 | 90.48 (10) |
| H14A—C14—H14C | 109.5 | O7—Mn2—O5 | 89.52 (10) |
| H14B—C14—H14C | 109.5 | O4i—Mn2—O5i | 91.22 (8) |
| O7—C15—O8 | 124.7 (3) | O4—Mn2—O5i | 88.78 (8) |
| O7—C15—C16 | 119.5 (3) | O7i—Mn2—O5i | 89.52 (10) |
| O8—C15—C16 | 115.7 (3) | O7—Mn2—O5i | 90.48 (10) |
| C15—C16—H16A | 109.5 | O5—Mn2—O5i | 180.000 (1) |
| C15—C16—H16B | 109.5 | ||
| O1—C1—C2—C3 | 178.6 (3) | Mn2—O4—Mn1—O6 | −51.58 (12) |
| C6—C1—C2—C3 | −1.2 (5) | C12—O4—Mn1—O9 | −71.9 (2) |
| C1—C2—C3—C4 | 1.9 (6) | Mn2—O4—Mn1—O9 | 123.73 (12) |
| C2—C3—C4—C5 | −1.1 (7) | C1—O1—Mn1—O4 | −2.9 (10) |
| C3—C4—C5—C6 | −0.4 (6) | C1—O1—Mn1—O8 | 164.2 (3) |
| C4—C5—C6—C1 | 1.0 (5) | C1—O1—Mn1—N1 | −13.6 (3) |
| C4—C5—C6—C7 | −175.3 (4) | C1—O1—Mn1—O6 | −106.8 (3) |
| O1—C1—C6—C5 | 180.0 (3) | C1—O1—Mn1—O9 | 78.0 (3) |
| C2—C1—C6—C5 | −0.2 (5) | C15—O8—Mn1—O4 | −15.7 (3) |
| O1—C1—C6—C7 | −3.9 (5) | C15—O8—Mn1—O1 | 165.8 (3) |
| C2—C1—C6—C7 | 175.9 (3) | C15—O8—Mn1—N1 | −158.1 (13) |
| C5—C6—C7—N1 | 171.7 (3) | C15—O8—Mn1—O6 | 76.5 (3) |
| C1—C6—C7—N1 | −4.5 (5) | C15—O8—Mn1—O9 | −103.6 (3) |
| N1—C9—C10—O3 | 51.4 (4) | C7—N1—Mn1—O4 | −173.7 (3) |
| C12—C9—C10—O3 | −65.0 (3) | C9—N1—Mn1—O4 | 5.8 (2) |
| C11—C9—C10—O3 | 173.0 (3) | C7—N1—Mn1—O1 | 5.1 (3) |
| N1—C9—C11—O2 | 54.4 (4) | C9—N1—Mn1—O1 | −175.4 (2) |
| C12—C9—C11—O2 | 167.1 (3) | C7—N1—Mn1—O8 | −30.9 (16) |
| C10—C9—C11—O2 | −70.3 (4) | C9—N1—Mn1—O8 | 148.6 (14) |
| N1—C9—C12—O4 | 42.2 (3) | C7—N1—Mn1—O6 | 94.4 (3) |
| C10—C9—C12—O4 | 164.4 (3) | C9—N1—Mn1—O6 | −86.1 (2) |
| C11—C9—C12—O4 | −73.1 (3) | C7—N1—Mn1—O9 | −85.3 (3) |
| C6—C7—N1—C9 | −177.5 (3) | C9—N1—Mn1—O9 | 94.2 (2) |
| C6—C7—N1—Mn1 | 1.9 (4) | C13—O6—Mn1—O4 | 26.9 (3) |
| C12—C9—N1—C7 | 152.4 (3) | C13—O6—Mn1—O1 | −159.5 (3) |
| C10—C9—N1—C7 | 32.1 (4) | C13—O6—Mn1—O8 | −73.4 (3) |
| C11—C9—N1—C7 | −91.0 (3) | C13—O6—Mn1—N1 | 109.7 (3) |
| C12—C9—N1—Mn1 | −27.1 (3) | C13—O6—Mn1—O9 | −74.0 (11) |
| C10—C9—N1—Mn1 | −147.4 (2) | C12—O4—Mn2—O4i | 150 (48) |
| C11—C9—N1—Mn1 | 89.5 (3) | Mn1—O4—Mn2—O4i | −47 (48) |
| C2—C1—O1—Mn1 | −164.9 (2) | C12—O4—Mn2—O7i | −23.4 (2) |
| C6—C1—O1—Mn1 | 14.9 (4) | Mn1—O4—Mn2—O7i | 139.47 (13) |
| C9—C12—O4—Mn1 | −41.2 (3) | C12—O4—Mn2—O7 | 156.6 (2) |
| C9—C12—O4—Mn2 | 122.8 (2) | Mn1—O4—Mn2—O7 | −40.53 (13) |
| O6—C13—O5—Mn2 | −9.9 (6) | C12—O4—Mn2—O5 | −113.9 (2) |
| C14—C13—O5—Mn2 | 169.9 (3) | Mn1—O4—Mn2—O5 | 48.97 (13) |
| O5—C13—O6—Mn1 | 3.4 (5) | C12—O4—Mn2—O5i | 66.1 (2) |
| C14—C13—O6—Mn1 | −176.4 (3) | Mn1—O4—Mn2—O5i | −131.03 (13) |
| O8—C15—O7—Mn2 | −15.7 (5) | C15—O7—Mn2—O4i | −148.5 (3) |
| C16—C15—O7—Mn2 | 163.0 (2) | C15—O7—Mn2—O4 | 31.5 (3) |
| O7—C15—O8—Mn1 | 3.5 (5) | C15—O7—Mn2—O7i | 112 (100) |
| C16—C15—O8—Mn1 | −175.3 (2) | C15—O7—Mn2—O5 | −59.7 (3) |
| C12—O4—Mn1—O1 | 9.0 (9) | C15—O7—Mn2—O5i | 120.3 (3) |
| Mn2—O4—Mn1—O1 | −155.3 (8) | C13—O5—Mn2—O4i | 166.7 (3) |
| C12—O4—Mn1—O8 | −157.9 (2) | C13—O5—Mn2—O4 | −13.3 (3) |
| Mn2—O4—Mn1—O8 | 37.79 (13) | C13—O5—Mn2—O7i | −104.3 (3) |
| C12—O4—Mn1—N1 | 19.8 (2) | C13—O5—Mn2—O7 | 75.7 (3) |
| Mn2—O4—Mn1—N1 | −144.53 (13) | C13—O5—Mn2—O5i | 30 (100) |
| C12—O4—Mn1—O6 | 112.8 (2) |
| H··· | ||||
| O9—H9A···O10ii | 0.85 (1) | 1.97 (1) | 2.806 (4) | 167 (3) |
| O9—H9B···O8iii | 0.85 (1) | 2.23 (3) | 3.008 (3) | 153 (5) |
| O9—H9B···O1iii | 0.85 (1) | 2.61 (3) | 3.322 (3) | 142 (5) |
| O10—H10C···O5iv | 0.85 (1) | 2.06 (1) | 2.907 (4) | 176 (5) |
| O10—H10D···N2v | 0.85 (1) | 2.07 (1) | 2.914 (6) | 174 (6) |
| O2—H2···O3vi | 0.82 | 2.55 | 3.362 (5) | 172. |
| O3—H3···O6vii | 0.82 | 2.00 | 2.777 (3) | 159. |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O9—H9 | 0.85 (1) | 1.97 (1) | 2.806 (4) | 167 (3) |
| O9—H9 | 0.85 (1) | 2.23 (3) | 3.008 (3) | 153 (5) |
| O9—H9 | 0.85 (1) | 2.61 (3) | 3.322 (3) | 142 (5) |
| O10—H10 | 0.85 (1) | 2.06 (1) | 2.907 (4) | 176 (5) |
| O10—H10 | 0.85 (1) | 2.07 (1) | 2.914 (6) | 174 (6) |
| O2—H2⋯O3v | 0.82 | 2.55 | 3.362 (5) | 172 |
| O3—H3⋯O6vi | 0.82 | 2.00 | 2.777 (3) | 159 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) .