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Information card for entry 4313941
Preview
| Coordinates | 4313941.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40.5 H36 N3.5 O P2 Re1.5 S1.5 Se2 |
|---|---|
| Calculated formula | C40.5 H30 N3.5 O P2 Re1.5 S1.5 Se2 |
| Title of publication | Preparation, Structures, and Redox and Emission Characteristics of the Isothiocyanate Complexes of Hexarhenium(III) Clusters [Re6(μ3-E)8(NCS)6]4- (E = S, Se) |
| Authors of publication | Takashi Yoshimura; Zhong-Ning Chen; Ai Itasaka; Masaaki Abe; Yoichi Sasaki; Shoji Ishizaka; Noboru Kitamura; Spartak S. Yarovoi; Sergey F. Solodovnikov; Vladimir E. Fedorov |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 4857 - 4863 |
| a | 15.263 ± 0.002 Å |
| b | 16.429 ± 0.002 Å |
| c | 17.111 ± 0.002 Å |
| α | 84.07 ± 0.01° |
| β | 84.95 ± 0.01° |
| γ | 74.21 ± 0.01° |
| Cell volume | 4098.6 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0625 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0697 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4313941.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4313941.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313941.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313941.cif |
| 7013 | 2011-01-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4313941 via cif-deposit CGI script. |
4313941.cif |
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Users of the data should acknowledge the original authors of the
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