| Literature DB >> 21580490 |
Li Yong1.
Abstract
The title compound, [Mn(2)(C(6)H(8)O(4)S)(C(10)H(8)N(2))(4)](ClO(4))(2), which was crystallized from an aqueous solution, features two Mn(II) atoms in the asymmetric unit, each being coordinated by four N-atom donors from 2,2'-bipyridine ligands and two O atoms of two different 3,3'-sulfanediyldipropionate (L) ligands, with the O atoms in cis positions. The two carboxyl-ate groups of each L ligand, which adopt a syn-anti coordination mode, combine with four Mn(II) atoms, yielding one-dimensional chains extending along [010].Entities:
Year: 2010 PMID: 21580490 PMCID: PMC2983876 DOI: 10.1107/S1600536810008123
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Mn2(C6H8O4S)(C10H8N2)4](ClO4)2 | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 4396 reflections | |
| θ = 2.5–25.9° | |
| µ = 0.73 mm−1 | |
| α = 102.611 (2)° | |
| β = 93.213 (3)° | Block, yellow |
| γ = 93.556 (3)° | 0.22 × 0.16 × 0.10 mm |
| Bruker SMART CCD area-detector diffractometer | 8690 independent reflections |
| Radiation source: fine-focus sealed tube | 5935 reflections with |
| graphite | |
| phi and ω scans | θmax = 25.0°, θmin = 1.3° |
| Absorption correction: multi-scan ( | |
| 12678 measured reflections |
| Refinement on | 0 restraints |
| Least-squares matrix: full | H-atom parameters constrained |
| (Δ/σ)max = 0.001 | |
| Δρmax = 0.53 e Å−3 | |
| 8690 reflections | Δρmin = −0.37 e Å−3 |
| 640 parameters |
| Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
| Mn1 | 0.00691 (4) | 0.18036 (4) | 0.04401 (3) | 0.04195 (14) | |
| Mn2 | 0.44247 (4) | 0.13551 (4) | 0.60030 (3) | 0.04089 (14) | |
| S1 | 0.01371 (9) | 0.00873 (11) | 0.36605 (7) | 0.0797 (4) | |
| O1 | −0.09407 (19) | 0.05450 (17) | 0.06451 (15) | 0.0516 (6) | |
| O2 | −0.0797 (2) | −0.10541 (18) | 0.07046 (15) | 0.0576 (6) | |
| O3 | 0.3690 (2) | 0.00206 (17) | 0.51458 (15) | 0.0538 (6) | |
| O4 | 0.3952 (2) | −0.08857 (19) | 0.38353 (16) | 0.0603 (7) | |
| N1 | −0.1243 (2) | 0.2224 (2) | −0.04545 (17) | 0.0447 (7) | |
| N2 | 0.0733 (2) | 0.3260 (2) | 0.00598 (18) | 0.0482 (7) | |
| N3 | −0.0269 (2) | 0.2710 (2) | 0.17757 (17) | 0.0470 (7) | |
| N4 | 0.1538 (2) | 0.1728 (2) | 0.13582 (18) | 0.0494 (7) | |
| N5 | 0.2905 (2) | 0.2255 (2) | 0.58200 (19) | 0.0537 (8) | |
| N6 | 0.4855 (2) | 0.2419 (2) | 0.51181 (17) | 0.0474 (7) | |
| N7 | 0.4777 (2) | 0.2644 (2) | 0.72353 (17) | 0.0462 (7) | |
| N8 | 0.3891 (2) | 0.0761 (2) | 0.71663 (18) | 0.0495 (7) | |
| C1 | −0.2205 (3) | 0.1664 (3) | −0.0711 (2) | 0.0548 (9) | |
| C2 | −0.2844 (3) | 0.1696 (3) | −0.1456 (3) | 0.0624 (10) | |
| C3 | −0.2485 (4) | 0.2349 (3) | −0.1955 (3) | 0.0672 (11) | |
| C4 | −0.1508 (3) | 0.2953 (3) | −0.1695 (2) | 0.0579 (10) | |
| C5 | −0.0893 (3) | 0.2875 (2) | −0.0941 (2) | 0.0437 (8) | |
| C6 | 0.0169 (3) | 0.3484 (2) | −0.0628 (2) | 0.0455 (8) | |
| C7 | 0.0578 (4) | 0.4254 (3) | −0.1006 (3) | 0.0668 (11) | |
| C8 | 0.1570 (4) | 0.4800 (3) | −0.0660 (3) | 0.0820 (14) | |
| C9 | 0.2121 (4) | 0.4584 (3) | 0.0051 (3) | 0.0768 (13) | |
| C10 | 0.1686 (3) | 0.3801 (3) | 0.0388 (3) | 0.0626 (10) | |
| C11 | −0.1235 (3) | 0.3113 (3) | 0.1952 (2) | 0.0567 (9) | |
| C12 | −0.1491 (4) | 0.3540 (3) | 0.2788 (3) | 0.0703 (11) | |
| C13 | −0.0740 (4) | 0.3528 (3) | 0.3471 (3) | 0.0794 (13) | |
| C14 | 0.0255 (4) | 0.3107 (3) | 0.3300 (2) | 0.0700 (12) | |
| C15 | 0.0481 (3) | 0.2711 (2) | 0.2442 (2) | 0.0485 (8) | |
| C16 | 0.1523 (3) | 0.2232 (3) | 0.2196 (2) | 0.0502 (9) | |
| C17 | 0.2448 (4) | 0.2287 (4) | 0.2772 (3) | 0.0803 (13) | |
| C18 | 0.3369 (4) | 0.1801 (4) | 0.2501 (3) | 0.0860 (14) | |
| C19 | 0.3375 (3) | 0.1271 (3) | 0.1658 (3) | 0.0691 (11) | |
| C20 | 0.2449 (3) | 0.1260 (3) | 0.1106 (3) | 0.0602 (10) | |
| C21 | −0.0823 (3) | −0.0139 (3) | 0.1054 (2) | 0.0412 (8) | |
| C22 | −0.0775 (3) | 0.0126 (3) | 0.2050 (2) | 0.0553 (9) | |
| C23 | 0.0177 (3) | −0.0257 (3) | 0.2481 (2) | 0.0691 (11) | |
| C24 | 0.1392 (4) | −0.0405 (4) | 0.4038 (3) | 0.0852 (14) | |
| C25 | 0.2439 (4) | 0.0136 (3) | 0.3925 (3) | 0.0745 (12) | |
| C26 | 0.3433 (3) | −0.0280 (3) | 0.4341 (2) | 0.0498 (9) | |
| C27 | 0.1953 (3) | 0.2153 (3) | 0.6200 (3) | 0.0751 (12) | |
| C28 | 0.1122 (4) | 0.2822 (4) | 0.6202 (4) | 0.0940 (16) | |
| C29 | 0.1298 (5) | 0.3605 (4) | 0.5792 (4) | 0.0967 (17) | |
| C30 | 0.2265 (4) | 0.3717 (3) | 0.5399 (3) | 0.0782 (13) | |
| C31 | 0.3061 (3) | 0.3027 (3) | 0.5413 (2) | 0.0525 (9) | |
| C32 | 0.4114 (3) | 0.3080 (2) | 0.4981 (2) | 0.0490 (9) | |
| C33 | 0.4348 (4) | 0.3754 (3) | 0.4449 (3) | 0.0692 (12) | |
| C34 | 0.5352 (5) | 0.3734 (4) | 0.4064 (3) | 0.0834 (14) | |
| C35 | 0.6093 (4) | 0.3076 (4) | 0.4220 (3) | 0.0805 (13) | |
| C36 | 0.5824 (4) | 0.2432 (3) | 0.4752 (2) | 0.0620 (10) | |
| C37 | 0.5167 (3) | 0.3587 (3) | 0.7230 (2) | 0.0566 (10) | |
| C38 | 0.5160 (4) | 0.4381 (3) | 0.7933 (3) | 0.0721 (12) | |
| C39 | 0.4740 (5) | 0.4204 (3) | 0.8676 (3) | 0.0883 (15) | |
| C40 | 0.4348 (4) | 0.3239 (3) | 0.8707 (2) | 0.0753 (13) | |
| C41 | 0.4382 (3) | 0.2461 (3) | 0.7976 (2) | 0.0489 (8) | |
| C42 | 0.4041 (3) | 0.1390 (3) | 0.7961 (2) | 0.0469 (8) | |
| C43 | 0.3942 (3) | 0.1036 (3) | 0.8722 (2) | 0.0603 (10) | |
| C44 | 0.3718 (3) | 0.0017 (3) | 0.8659 (3) | 0.0687 (11) | |
| C45 | 0.3576 (3) | −0.0629 (3) | 0.7856 (3) | 0.0675 (11) | |
| C46 | 0.3654 (3) | −0.0226 (3) | 0.7124 (3) | 0.0628 (10) | |
| Cl1 | 0.55665 (8) | 0.29282 (7) | 0.09891 (6) | 0.0576 (2) | |
| Cl2 | 0.81938 (9) | 0.43090 (8) | 0.63234 (7) | 0.0635 (3) | |
| O5 | 0.4477 (2) | 0.3230 (2) | 0.08365 (18) | 0.0736 (8) | |
| O6 | 0.5608 (3) | 0.1882 (2) | 0.0577 (2) | 0.0859 (9) | |
| O7 | 0.6353 (3) | 0.3516 (2) | 0.0625 (2) | 0.0992 (11) | |
| O8 | 0.5816 (3) | 0.3050 (3) | 0.19051 (19) | 0.0975 (10) | |
| O9 | 0.7915 (4) | 0.3273 (3) | 0.6220 (3) | 0.1298 (16) | |
| O10 | 0.8648 (3) | 0.4539 (3) | 0.5569 (2) | 0.0994 (11) | |
| O11 | 0.9012 (3) | 0.4606 (3) | 0.7031 (2) | 0.1141 (13) | |
| O12 | 0.7260 (4) | 0.4848 (4) | 0.6470 (3) | 0.1559 (19) | |
| H1 | −0.2455 | 0.1229 | −0.0366 | 0.066* | |
| H2 | −0.3504 | 0.1286 | −0.1617 | 0.075* | |
| H3 | −0.2897 | 0.2384 | −0.2467 | 0.081* | |
| H4 | −0.1264 | 0.3410 | −0.2022 | 0.069* | |
| H7 | 0.0189 | 0.4401 | −0.1487 | 0.080* | |
| H8 | 0.1859 | 0.5313 | −0.0913 | 0.098* | |
| H9 | 0.2777 | 0.4959 | 0.0303 | 0.092* | |
| H10 | 0.2072 | 0.3641 | 0.0866 | 0.075* | |
| H11 | −0.1757 | 0.3105 | 0.1489 | 0.068* | |
| H12 | −0.2165 | 0.3832 | 0.2887 | 0.084* | |
| H13 | −0.0899 | 0.3802 | 0.4046 | 0.095* | |
| H14 | 0.0774 | 0.3088 | 0.3758 | 0.084* | |
| H17 | 0.2443 | 0.2656 | 0.3347 | 0.096* | |
| H18 | 0.3989 | 0.1832 | 0.2891 | 0.103* | |
| H19 | 0.3989 | 0.0926 | 0.1462 | 0.083* | |
| H20 | 0.2454 | 0.0908 | 0.0525 | 0.072* | |
| H22A | −0.0738 | 0.0858 | 0.2249 | 0.066* | |
| H22B | −0.1462 | −0.0146 | 0.2238 | 0.066* | |
| H23A | 0.0870 | 0.0025 | 0.2312 | 0.083* | |
| H23B | 0.0150 | −0.0989 | 0.2289 | 0.083* | |
| H24A | 0.1354 | −0.0397 | 0.4657 | 0.102* | |
| H24B | 0.1404 | −0.1107 | 0.3729 | 0.102* | |
| H25A | 0.2417 | 0.0850 | 0.4192 | 0.089* | |
| H25B | 0.2528 | 0.0072 | 0.3304 | 0.089* | |
| H27 | 0.1841 | 0.1615 | 0.6474 | 0.090* | |
| H28 | 0.0466 | 0.2738 | 0.6474 | 0.113* | |
| H29 | 0.0755 | 0.4063 | 0.5781 | 0.116* | |
| H30 | 0.2389 | 0.4253 | 0.5124 | 0.094* | |
| H33 | 0.3835 | 0.4212 | 0.4353 | 0.083* | |
| H34 | 0.5518 | 0.4173 | 0.3700 | 0.100* | |
| H35 | 0.6777 | 0.3059 | 0.3969 | 0.097* | |
| H36 | 0.6341 | 0.1984 | 0.4863 | 0.074* | |
| H37 | 0.5456 | 0.3708 | 0.6720 | 0.068* | |
| H38 | 0.5437 | 0.5029 | 0.7905 | 0.086* | |
| H39 | 0.4717 | 0.4734 | 0.9164 | 0.106* | |
| H40 | 0.4062 | 0.3111 | 0.9215 | 0.090* | |
| H43 | 0.4027 | 0.1483 | 0.9269 | 0.072* | |
| H44 | 0.3664 | −0.0233 | 0.9164 | 0.082* | |
| H45 | 0.3430 | −0.1322 | 0.7803 | 0.081* | |
| H46 | 0.3536 | −0.0662 | 0.6574 | 0.075* |
| Mn1 | 0.0505 (3) | 0.0440 (3) | 0.0341 (3) | 0.0046 (2) | −0.0015 (2) | 0.0154 (2) |
| Mn2 | 0.0471 (3) | 0.0407 (3) | 0.0359 (3) | 0.0090 (2) | 0.0018 (2) | 0.0095 (2) |
| S1 | 0.0524 (6) | 0.1455 (11) | 0.0467 (6) | 0.0309 (7) | −0.0036 (5) | 0.0284 (6) |
| O1 | 0.0569 (15) | 0.0507 (14) | 0.0521 (14) | −0.0007 (11) | −0.0048 (12) | 0.0256 (11) |
| O2 | 0.0825 (18) | 0.0493 (15) | 0.0449 (14) | 0.0089 (13) | 0.0167 (13) | 0.0149 (11) |
| O3 | 0.0597 (16) | 0.0482 (14) | 0.0497 (15) | 0.0045 (12) | −0.0011 (12) | 0.0039 (11) |
| O4 | 0.0553 (15) | 0.0653 (16) | 0.0523 (15) | 0.0215 (13) | −0.0083 (13) | −0.0054 (13) |
| N1 | 0.0469 (17) | 0.0489 (16) | 0.0429 (15) | 0.0033 (13) | −0.0004 (13) | 0.0213 (13) |
| N2 | 0.0480 (17) | 0.0450 (16) | 0.0534 (17) | −0.0030 (13) | −0.0016 (14) | 0.0181 (13) |
| N3 | 0.0536 (18) | 0.0454 (16) | 0.0424 (16) | 0.0039 (14) | 0.0022 (14) | 0.0110 (13) |
| N4 | 0.0513 (18) | 0.0564 (18) | 0.0421 (16) | 0.0086 (14) | −0.0009 (14) | 0.0143 (14) |
| N5 | 0.0507 (19) | 0.0496 (18) | 0.0605 (19) | 0.0115 (14) | 0.0005 (15) | 0.0104 (15) |
| N6 | 0.0583 (19) | 0.0474 (17) | 0.0388 (15) | 0.0097 (14) | 0.0016 (14) | 0.0132 (13) |
| N7 | 0.0552 (18) | 0.0423 (16) | 0.0392 (15) | 0.0055 (14) | 0.0002 (13) | 0.0056 (12) |
| N8 | 0.0599 (19) | 0.0438 (17) | 0.0477 (17) | 0.0105 (14) | 0.0107 (14) | 0.0133 (13) |
| C1 | 0.047 (2) | 0.062 (2) | 0.059 (2) | −0.0033 (18) | 0.0004 (18) | 0.0237 (18) |
| C2 | 0.042 (2) | 0.071 (3) | 0.074 (3) | 0.0016 (19) | −0.014 (2) | 0.021 (2) |
| C3 | 0.068 (3) | 0.080 (3) | 0.058 (2) | 0.018 (2) | −0.013 (2) | 0.026 (2) |
| C4 | 0.065 (3) | 0.061 (2) | 0.055 (2) | 0.009 (2) | −0.005 (2) | 0.0289 (19) |
| C5 | 0.050 (2) | 0.0434 (19) | 0.0409 (18) | 0.0112 (16) | 0.0050 (16) | 0.0137 (15) |
| C6 | 0.054 (2) | 0.0404 (19) | 0.0476 (19) | 0.0088 (16) | 0.0075 (17) | 0.0189 (15) |
| C7 | 0.072 (3) | 0.066 (3) | 0.074 (3) | 0.001 (2) | 0.004 (2) | 0.043 (2) |
| C8 | 0.081 (3) | 0.066 (3) | 0.111 (4) | −0.010 (2) | 0.012 (3) | 0.049 (3) |
| C9 | 0.064 (3) | 0.060 (3) | 0.104 (4) | −0.017 (2) | −0.001 (3) | 0.021 (2) |
| C10 | 0.061 (3) | 0.058 (2) | 0.069 (3) | −0.004 (2) | −0.009 (2) | 0.020 (2) |
| C11 | 0.060 (2) | 0.057 (2) | 0.055 (2) | 0.0036 (19) | 0.0045 (19) | 0.0151 (18) |
| C12 | 0.073 (3) | 0.069 (3) | 0.067 (3) | 0.006 (2) | 0.022 (2) | 0.008 (2) |
| C13 | 0.094 (4) | 0.084 (3) | 0.051 (3) | −0.002 (3) | 0.019 (3) | −0.007 (2) |
| C14 | 0.083 (3) | 0.080 (3) | 0.039 (2) | −0.005 (2) | −0.004 (2) | 0.0007 (19) |
| C15 | 0.058 (2) | 0.0433 (19) | 0.0418 (19) | −0.0076 (17) | −0.0034 (17) | 0.0088 (15) |
| C16 | 0.054 (2) | 0.050 (2) | 0.045 (2) | −0.0064 (17) | −0.0103 (17) | 0.0141 (16) |
| C17 | 0.070 (3) | 0.099 (3) | 0.059 (3) | 0.003 (3) | −0.024 (2) | −0.003 (2) |
| C18 | 0.058 (3) | 0.108 (4) | 0.085 (3) | 0.002 (3) | −0.029 (3) | 0.016 (3) |
| C19 | 0.043 (2) | 0.079 (3) | 0.088 (3) | 0.006 (2) | 0.002 (2) | 0.026 (2) |
| C20 | 0.057 (2) | 0.072 (3) | 0.056 (2) | 0.012 (2) | 0.004 (2) | 0.0209 (19) |
| C21 | 0.0364 (18) | 0.048 (2) | 0.0421 (18) | 0.0022 (15) | −0.0001 (15) | 0.0174 (16) |
| C22 | 0.063 (2) | 0.059 (2) | 0.045 (2) | 0.0128 (19) | −0.0052 (18) | 0.0156 (17) |
| C23 | 0.065 (3) | 0.094 (3) | 0.051 (2) | 0.028 (2) | 0.003 (2) | 0.018 (2) |
| C24 | 0.059 (3) | 0.118 (4) | 0.089 (3) | 0.002 (3) | −0.010 (2) | 0.049 (3) |
| C25 | 0.069 (3) | 0.068 (3) | 0.083 (3) | 0.017 (2) | −0.014 (2) | 0.012 (2) |
| C26 | 0.043 (2) | 0.045 (2) | 0.058 (2) | 0.0043 (16) | −0.0125 (18) | 0.0069 (17) |
| C27 | 0.055 (3) | 0.078 (3) | 0.093 (3) | 0.013 (2) | 0.011 (2) | 0.019 (2) |
| C28 | 0.052 (3) | 0.110 (4) | 0.120 (4) | 0.026 (3) | 0.016 (3) | 0.016 (3) |
| C29 | 0.075 (4) | 0.084 (4) | 0.127 (5) | 0.042 (3) | −0.011 (3) | 0.010 (3) |
| C30 | 0.079 (3) | 0.067 (3) | 0.086 (3) | 0.028 (2) | −0.019 (3) | 0.012 (2) |
| C31 | 0.063 (2) | 0.041 (2) | 0.049 (2) | 0.0140 (17) | −0.0169 (18) | 0.0025 (16) |
| C32 | 0.069 (2) | 0.0375 (18) | 0.0372 (18) | 0.0042 (17) | −0.0123 (18) | 0.0048 (14) |
| C33 | 0.097 (3) | 0.054 (2) | 0.058 (2) | 0.002 (2) | −0.022 (2) | 0.0227 (19) |
| C34 | 0.120 (4) | 0.071 (3) | 0.064 (3) | −0.018 (3) | 0.006 (3) | 0.031 (2) |
| C35 | 0.096 (4) | 0.078 (3) | 0.074 (3) | −0.002 (3) | 0.027 (3) | 0.028 (2) |
| C36 | 0.071 (3) | 0.062 (2) | 0.055 (2) | 0.007 (2) | 0.013 (2) | 0.0138 (19) |
| C37 | 0.073 (3) | 0.050 (2) | 0.045 (2) | −0.0017 (19) | −0.0005 (19) | 0.0091 (17) |
| C38 | 0.107 (4) | 0.047 (2) | 0.055 (2) | −0.003 (2) | −0.005 (2) | 0.0029 (19) |
| C39 | 0.140 (5) | 0.059 (3) | 0.055 (3) | 0.007 (3) | 0.001 (3) | −0.009 (2) |
| C40 | 0.117 (4) | 0.069 (3) | 0.039 (2) | 0.016 (3) | 0.014 (2) | 0.0070 (19) |
| C41 | 0.055 (2) | 0.055 (2) | 0.0376 (19) | 0.0147 (17) | 0.0028 (16) | 0.0105 (16) |
| C42 | 0.046 (2) | 0.055 (2) | 0.0430 (19) | 0.0115 (16) | 0.0055 (16) | 0.0165 (16) |
| C43 | 0.064 (3) | 0.076 (3) | 0.048 (2) | 0.009 (2) | 0.0099 (19) | 0.0256 (19) |
| C44 | 0.066 (3) | 0.087 (3) | 0.068 (3) | 0.018 (2) | 0.015 (2) | 0.045 (3) |
| C45 | 0.071 (3) | 0.057 (2) | 0.086 (3) | 0.011 (2) | 0.022 (2) | 0.036 (2) |
| C46 | 0.079 (3) | 0.050 (2) | 0.062 (2) | 0.009 (2) | 0.015 (2) | 0.0160 (19) |
| Cl1 | 0.0618 (6) | 0.0534 (5) | 0.0590 (6) | 0.0018 (5) | 0.0008 (5) | 0.0174 (4) |
| Cl2 | 0.0642 (6) | 0.0714 (7) | 0.0664 (6) | 0.0117 (5) | 0.0027 (5) | 0.0385 (5) |
| O5 | 0.0632 (18) | 0.083 (2) | 0.0770 (19) | 0.0122 (15) | −0.0012 (15) | 0.0215 (15) |
| O6 | 0.118 (3) | 0.0532 (17) | 0.087 (2) | 0.0144 (17) | 0.0171 (19) | 0.0122 (15) |
| O7 | 0.084 (2) | 0.085 (2) | 0.139 (3) | −0.0133 (18) | 0.023 (2) | 0.050 (2) |
| O8 | 0.114 (3) | 0.117 (3) | 0.0557 (18) | 0.012 (2) | −0.0214 (18) | 0.0119 (17) |
| O9 | 0.187 (4) | 0.077 (2) | 0.127 (3) | −0.024 (2) | −0.044 (3) | 0.050 (2) |
| O10 | 0.122 (3) | 0.123 (3) | 0.0678 (19) | 0.013 (2) | 0.0204 (19) | 0.0482 (19) |
| O11 | 0.132 (3) | 0.131 (3) | 0.086 (2) | −0.034 (2) | −0.036 (2) | 0.062 (2) |
| O12 | 0.118 (3) | 0.193 (5) | 0.207 (5) | 0.093 (3) | 0.073 (3) | 0.117 (4) |
| Mn1—O2i | 2.121 (2) | C31—C32 | 1.475 (5) |
| Mn1—O1 | 2.124 (2) | C32—C33 | 1.391 (5) |
| Mn1—N1 | 2.234 (3) | C33—C34 | 1.378 (6) |
| Mn1—N4 | 2.236 (3) | C34—C35 | 1.349 (6) |
| Mn1—N3 | 2.254 (3) | C35—C36 | 1.369 (5) |
| Mn1—N2 | 2.293 (3) | C37—C38 | 1.362 (5) |
| Mn2—O4ii | 2.110 (2) | C38—C39 | 1.356 (6) |
| Mn2—O3 | 2.112 (2) | C39—C40 | 1.373 (6) |
| Mn2—N8 | 2.255 (3) | C40—C41 | 1.380 (5) |
| Mn2—N6 | 2.263 (3) | C41—C42 | 1.479 (5) |
| Mn2—N5 | 2.298 (3) | C42—C43 | 1.387 (5) |
| Mn2—N7 | 2.301 (3) | C43—C44 | 1.370 (5) |
| S1—C23 | 1.807 (4) | C44—C45 | 1.360 (6) |
| S1—C24 | 1.808 (4) | C45—C46 | 1.378 (5) |
| O1—C21 | 1.246 (4) | Cl1—O8 | 1.420 (3) |
| O2—C21 | 1.245 (4) | Cl1—O5 | 1.420 (3) |
| O2—Mn1i | 2.121 (2) | Cl1—O7 | 1.421 (3) |
| O3—C26 | 1.251 (4) | Cl1—O6 | 1.428 (3) |
| O4—C26 | 1.235 (4) | Cl2—O12 | 1.381 (4) |
| O4—Mn2ii | 2.110 (2) | Cl2—O9 | 1.395 (3) |
| N1—C1 | 1.336 (4) | Cl2—O11 | 1.411 (3) |
| N1—C5 | 1.348 (4) | Cl2—O10 | 1.415 (3) |
| N2—C10 | 1.335 (4) | C1—H1 | 0.9300 |
| N2—C6 | 1.341 (4) | C2—H2 | 0.9300 |
| N3—C11 | 1.332 (4) | C3—H3 | 0.9300 |
| N3—C15 | 1.340 (4) | C4—H4 | 0.9300 |
| N4—C20 | 1.336 (4) | C7—H7 | 0.9300 |
| N4—C16 | 1.342 (4) | C8—H8 | 0.9300 |
| N5—C27 | 1.333 (5) | C9—H9 | 0.9300 |
| N5—C31 | 1.347 (4) | C10—H10 | 0.9300 |
| N6—C36 | 1.328 (5) | C11—H11 | 0.9300 |
| N6—C32 | 1.344 (4) | C12—H12 | 0.9300 |
| N7—C37 | 1.336 (4) | C13—H13 | 0.9300 |
| N7—C41 | 1.344 (4) | C14—H14 | 0.9300 |
| N8—C46 | 1.335 (4) | C17—H17 | 0.9300 |
| N8—C42 | 1.341 (4) | C18—H18 | 0.9300 |
| C1—C2 | 1.370 (5) | C19—H19 | 0.9300 |
| C2—C3 | 1.368 (5) | C20—H20 | 0.9300 |
| C3—C4 | 1.379 (5) | C22—H22A | 0.9700 |
| C4—C5 | 1.384 (4) | C22—H22B | 0.9700 |
| C5—C6 | 1.475 (5) | C23—H23A | 0.9700 |
| C6—C7 | 1.385 (5) | C23—H23B | 0.9700 |
| C7—C8 | 1.381 (6) | C24—H24A | 0.9700 |
| C8—C9 | 1.359 (6) | C24—H24B | 0.9700 |
| C9—C10 | 1.373 (5) | C25—H25A | 0.9700 |
| C11—C12 | 1.370 (5) | C25—H25B | 0.9700 |
| C12—C13 | 1.365 (6) | C27—H27 | 0.9300 |
| C13—C14 | 1.372 (6) | C28—H28 | 0.9300 |
| C14—C15 | 1.381 (5) | C29—H29 | 0.9300 |
| C15—C16 | 1.479 (5) | C30—H30 | 0.9300 |
| C16—C17 | 1.380 (5) | C33—H33 | 0.9300 |
| C17—C18 | 1.365 (6) | C34—H34 | 0.9300 |
| C18—C19 | 1.358 (6) | C35—H35 | 0.9300 |
| C19—C20 | 1.368 (5) | C36—H36 | 0.9300 |
| C21—C22 | 1.519 (4) | C37—H37 | 0.9300 |
| C22—C23 | 1.475 (5) | C38—H38 | 0.9300 |
| C24—C25 | 1.456 (6) | C39—H39 | 0.9300 |
| C25—C26 | 1.526 (5) | C40—H40 | 0.9300 |
| C27—C28 | 1.390 (6) | C43—H43 | 0.9300 |
| C28—C29 | 1.368 (7) | C44—H44 | 0.9300 |
| C29—C30 | 1.361 (7) | C45—H45 | 0.9300 |
| C30—C31 | 1.382 (5) | C46—H46 | 0.9300 |
| O2i—Mn1—O1 | 97.97 (9) | N7—C37—C38 | 123.3 (4) |
| O2i—Mn1—N1 | 87.09 (10) | C39—C38—C37 | 118.3 (4) |
| O1—Mn1—N1 | 93.10 (9) | C38—C39—C40 | 119.9 (4) |
| O2i—Mn1—N4 | 95.09 (10) | C39—C40—C41 | 119.4 (4) |
| O1—Mn1—N4 | 98.77 (9) | N7—C41—C40 | 120.6 (3) |
| N1—Mn1—N4 | 167.49 (10) | N7—C41—C42 | 116.0 (3) |
| O2i—Mn1—N3 | 166.07 (11) | C40—C41—C42 | 123.4 (3) |
| O1—Mn1—N3 | 90.46 (10) | N8—C42—C43 | 121.4 (3) |
| N1—Mn1—N3 | 103.58 (10) | N8—C42—C41 | 116.2 (3) |
| N4—Mn1—N3 | 72.57 (10) | C43—C42—C41 | 122.3 (3) |
| O2i—Mn1—N2 | 84.63 (10) | C44—C43—C42 | 119.0 (4) |
| O1—Mn1—N2 | 165.16 (9) | C45—C44—C43 | 120.0 (4) |
| N1—Mn1—N2 | 72.37 (10) | C44—C45—C46 | 118.1 (4) |
| N4—Mn1—N2 | 95.54 (10) | N8—C46—C45 | 123.2 (4) |
| N3—Mn1—N2 | 90.06 (10) | O8—Cl1—O5 | 109.5 (2) |
| O4ii—Mn2—O3 | 98.49 (9) | O8—Cl1—O7 | 110.9 (2) |
| O4ii—Mn2—N8 | 91.21 (10) | O5—Cl1—O7 | 109.49 (19) |
| O3—Mn2—N8 | 90.14 (10) | O8—Cl1—O6 | 108.53 (19) |
| O4ii—Mn2—N6 | 96.47 (11) | O5—Cl1—O6 | 109.31 (19) |
| O3—Mn2—N6 | 104.81 (10) | O7—Cl1—O6 | 109.0 (2) |
| N8—Mn2—N6 | 161.91 (10) | O12—Cl2—O9 | 110.6 (3) |
| O4ii—Mn2—N5 | 165.22 (11) | O12—Cl2—O11 | 111.5 (3) |
| O3—Mn2—N5 | 92.96 (10) | O9—Cl2—O11 | 107.7 (2) |
| N8—Mn2—N5 | 98.12 (11) | O12—Cl2—O10 | 106.9 (2) |
| N6—Mn2—N5 | 71.43 (11) | O9—Cl2—O10 | 112.1 (2) |
| O4ii—Mn2—N7 | 90.41 (10) | O11—Cl2—O10 | 108.0 (2) |
| O3—Mn2—N7 | 160.35 (10) | N1—C1—H1 | 118.2 |
| N8—Mn2—N7 | 72.09 (10) | C2—C1—H1 | 118.2 |
| N6—Mn2—N7 | 91.45 (10) | C3—C2—H2 | 120.9 |
| N5—Mn2—N7 | 81.66 (10) | C1—C2—H2 | 120.9 |
| C23—S1—C24 | 102.7 (2) | C2—C3—H3 | 120.2 |
| C21—O1—Mn1 | 135.9 (2) | C4—C3—H3 | 120.2 |
| C21—O2—Mn1i | 131.8 (2) | C3—C4—H4 | 120.3 |
| C26—O3—Mn2 | 137.2 (2) | C5—C4—H4 | 120.3 |
| C26—O4—Mn2ii | 130.1 (2) | C8—C7—H7 | 120.3 |
| C1—N1—C5 | 118.4 (3) | C6—C7—H7 | 120.3 |
| C1—N1—Mn1 | 122.8 (2) | C9—C8—H8 | 120.2 |
| C5—N1—Mn1 | 115.7 (2) | C7—C8—H8 | 120.2 |
| C10—N2—C6 | 119.2 (3) | C8—C9—H9 | 120.8 |
| C10—N2—Mn1 | 125.3 (2) | C10—C9—H9 | 120.8 |
| C6—N2—Mn1 | 114.9 (2) | N2—C10—H10 | 118.6 |
| C11—N3—C15 | 118.8 (3) | C9—C10—H10 | 118.6 |
| C11—N3—Mn1 | 123.2 (2) | N3—C11—H11 | 118.6 |
| C15—N3—Mn1 | 117.3 (2) | C12—C11—H11 | 118.6 |
| C20—N4—C16 | 118.6 (3) | C13—C12—H12 | 120.6 |
| C20—N4—Mn1 | 123.6 (2) | C11—C12—H12 | 120.6 |
| C16—N4—Mn1 | 117.7 (2) | C12—C13—H13 | 120.5 |
| C27—N5—C31 | 118.7 (3) | C14—C13—H13 | 120.5 |
| C27—N5—Mn2 | 123.7 (3) | C13—C14—H14 | 120.2 |
| C31—N5—Mn2 | 116.7 (2) | C15—C14—H14 | 120.2 |
| C36—N6—C32 | 119.0 (3) | C18—C17—H17 | 119.9 |
| C36—N6—Mn2 | 122.4 (2) | C16—C17—H17 | 119.9 |
| C32—N6—Mn2 | 118.6 (2) | C19—C18—H18 | 120.2 |
| C37—N7—C41 | 118.6 (3) | C17—C18—H18 | 120.2 |
| C37—N7—Mn2 | 124.6 (2) | C18—C19—H19 | 121.0 |
| C41—N7—Mn2 | 115.8 (2) | C20—C19—H19 | 121.0 |
| C46—N8—C42 | 118.2 (3) | N4—C20—H20 | 118.3 |
| C46—N8—Mn2 | 122.5 (2) | C19—C20—H20 | 118.3 |
| C42—N8—Mn2 | 117.8 (2) | C23—C22—H22A | 108.6 |
| N1—C1—C2 | 123.5 (3) | C21—C22—H22A | 108.6 |
| C3—C2—C1 | 118.2 (4) | C23—C22—H22B | 108.6 |
| C2—C3—C4 | 119.6 (3) | C21—C22—H22B | 108.6 |
| C3—C4—C5 | 119.4 (3) | H22A—C22—H22B | 107.6 |
| N1—C5—C4 | 121.0 (3) | C22—C23—H23A | 109.5 |
| N1—C5—C6 | 116.4 (3) | S1—C23—H23A | 109.5 |
| C4—C5—C6 | 122.6 (3) | C22—C23—H23B | 109.5 |
| N2—C6—C7 | 120.6 (3) | S1—C23—H23B | 109.5 |
| N2—C6—C5 | 116.3 (3) | H23A—C23—H23B | 108.1 |
| C7—C6—C5 | 123.1 (3) | C25—C24—H24A | 108.3 |
| C8—C7—C6 | 119.3 (4) | S1—C24—H24A | 108.3 |
| C9—C8—C7 | 119.6 (4) | C25—C24—H24B | 108.3 |
| C8—C9—C10 | 118.5 (4) | S1—C24—H24B | 108.3 |
| N2—C10—C9 | 122.7 (4) | H24A—C24—H24B | 107.4 |
| N3—C11—C12 | 122.7 (4) | C24—C25—H25A | 109.4 |
| C13—C12—C11 | 118.8 (4) | C26—C25—H25A | 109.4 |
| C12—C13—C14 | 119.1 (4) | C24—C25—H25B | 109.4 |
| C13—C14—C15 | 119.6 (4) | C26—C25—H25B | 109.4 |
| N3—C15—C14 | 121.0 (4) | H25A—C25—H25B | 108.0 |
| N3—C15—C16 | 115.7 (3) | N5—C27—H27 | 118.8 |
| C14—C15—C16 | 123.4 (3) | C28—C27—H27 | 118.8 |
| N4—C16—C17 | 120.1 (4) | C29—C28—H28 | 121.0 |
| N4—C16—C15 | 116.1 (3) | C27—C28—H28 | 121.0 |
| C17—C16—C15 | 123.7 (3) | C30—C29—H29 | 119.9 |
| C18—C17—C16 | 120.2 (4) | C28—C29—H29 | 119.9 |
| C19—C18—C17 | 119.7 (4) | C29—C30—H30 | 120.3 |
| C18—C19—C20 | 118.0 (4) | C31—C30—H30 | 120.3 |
| N4—C20—C19 | 123.4 (4) | C34—C33—H33 | 120.5 |
| O2—C21—O1 | 124.7 (3) | C32—C33—H33 | 120.5 |
| O2—C21—C22 | 116.0 (3) | C35—C34—H34 | 120.2 |
| O1—C21—C22 | 119.2 (3) | C33—C34—H34 | 120.2 |
| C23—C22—C21 | 114.5 (3) | C34—C35—H35 | 120.5 |
| C22—C23—S1 | 110.6 (3) | C36—C35—H35 | 120.5 |
| C25—C24—S1 | 115.8 (3) | N6—C36—H36 | 118.6 |
| C24—C25—C26 | 111.4 (4) | C35—C36—H36 | 118.6 |
| O4—C26—O3 | 124.4 (3) | N7—C37—H37 | 118.4 |
| O4—C26—C25 | 116.0 (3) | C38—C37—H37 | 118.4 |
| O3—C26—C25 | 119.6 (3) | C39—C38—H38 | 120.9 |
| N5—C27—C28 | 122.4 (4) | C37—C38—H38 | 120.9 |
| C29—C28—C27 | 118.1 (5) | C38—C39—H39 | 120.1 |
| C30—C29—C28 | 120.1 (4) | C40—C39—H39 | 120.1 |
| C29—C30—C31 | 119.4 (5) | C39—C40—H40 | 120.3 |
| N5—C31—C30 | 121.2 (4) | C41—C40—H40 | 120.3 |
| N5—C31—C32 | 116.2 (3) | C44—C43—H43 | 120.5 |
| C30—C31—C32 | 122.5 (4) | C42—C43—H43 | 120.5 |
| N6—C32—C33 | 120.5 (4) | C45—C44—H44 | 120.0 |
| N6—C32—C31 | 116.0 (3) | C43—C44—H44 | 120.0 |
| C33—C32—C31 | 123.5 (4) | C44—C45—H45 | 120.9 |
| C34—C33—C32 | 119.0 (4) | C46—C45—H45 | 121.0 |
| C35—C34—C33 | 119.7 (4) | N8—C46—H46 | 118.4 |
| C34—C35—C36 | 119.0 (5) | C45—C46—H46 | 118.4 |
| N6—C36—C35 | 122.8 (4) |
Selected bond lengths (Å)
| Mn1—O2i | 2.121 (2) |
| Mn1—O1 | 2.124 (2) |
| Mn1—N1 | 2.234 (3) |
| Mn1—N4 | 2.236 (3) |
| Mn1—N3 | 2.254 (3) |
| Mn1—N2 | 2.293 (3) |
| Mn2—O4ii | 2.110 (2) |
| Mn2—O3 | 2.112 (2) |
| Mn2—N8 | 2.255 (3) |
| Mn2—N6 | 2.263 (3) |
| Mn2—N5 | 2.298 (3) |
| Mn2—N7 | 2.301 (3) |
Symmetry codes: (i) ; (ii) .