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Information card for entry 8102676
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| Coordinates | 8102676.cif |
|---|---|
| External links | ChemSpider |
| Chemical name | Dibromobis(1-(2-pyridylmethyl)-2-(2-pyridyl)benzimidazole)manganese(II) acetonitrile solvate |
|---|---|
| Formula | C38 H31 Br2 Mn N9 |
| Calculated formula | C38 H31 Br2 Mn N9 |
| SMILES | [Mn]12(Br)(Br)([n]3c4ccccc4n(c3c3[n]1cccc3)Cc1ncccc1)[n]1c3ccccc3n(c1c1[n]2cccc1)Cc1ncccc1.N#CC |
| Title of publication | Crystal structure of dibromobis(1-(2-pyridylmethyl)-2-(2-pyridyl)benzimidazole)manganese(II) — acetonitrile (1:1), MnBr2(C18H14N4)2 · CH3CN |
| Authors of publication | Kwang Ha |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 2 |
| Pages of publication | 259 |
| a | 9.6104 ± 0.0013 Å |
| b | 12.0192 ± 0.0017 Å |
| c | 17.771 ± 0.002 Å |
| α | 107.096 ± 0.003° |
| β | 96.468 ± 0.003° |
| γ | 107.982 ± 0.003° |
| Cell volume | 1818.9 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1228 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for significantly intense reflections | 0.12 |
| Weighted residual factors for all reflections included in the refinement | 0.1533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202018 (current) | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8102676.cif |
| 176728 | 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. |
8102676.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102676.cif |
| 13415 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102676 via cif-deposit CGI script. |
8102676.cif |
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