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Information card for entry 8103207
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| Coordinates | 8103207.cif |
|---|
| Chemical name | aqua-bis(2,2'-bipyridine) (9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonato)manganese(II) monohydrate |
|---|---|
| Formula | C34 H26 Mn N4 O10 S2 |
| Calculated formula | C34 H26 Mn N4 O10 S2 |
| SMILES | [Mn]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)(OS(=O)(=O)c1cc2C(=O)c3ccc(S(=O)(=O)[O-])cc3C(=O)c2cc1)[OH2].O |
| Title of publication | Crystal structure of aquabis(2,2'-bipyridyl-N,N')(9,10-dioxoanthracene-2,6-disulfonato)manganese(II) — water (1:1), [Mn(H2O)(C10H8N2)2][C14H6S2O8] • H2O |
| Authors of publication | Ning Zhao; Hong-Ling Li; Hui-Juan Han |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 4 |
| Pages of publication | 550 |
| a | 9.7883 ± 0.0012 Å |
| b | 12.927 ± 0.008 Å |
| c | 13.9108 ± 0.0015 Å |
| α | 87.23 ± 0.02° |
| β | 80.599 ± 0.01° |
| γ | 70.19 ± 0.03° |
| Cell volume | 1633.7 ± 1.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0697 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1682 |
| Weighted residual factors for all reflections included in the refinement | 0.184 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.384 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103207.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103207.cif |
| 32549 | 2012-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 8103207 via cif-deposit CGI script. |
8103207.cif |
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Users of the data should acknowledge the original authors of the
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