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Information card for entry 7010786
Preview
Coordinates | 7010786.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16.4 H35 Br3 N4 O1.1 P2 Re |
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Calculated formula | C12 H24 Br3 N4 P2 Re |
SMILES | [Re]1(Br)(Br)([P](C)(C)C)([P](C)(C)C)[n]2cc[nH]c2c2[nH]cc[n]12.[Br-] |
Title of publication | Neutral and cationic biimidazoledihalogenobis(trimethylphosphine)rhenium(iii) complexes: ion-pairing, acid‒base and redox properties |
Authors of publication | Fortin, Sébastien; Fabre, Paul-Louis; Dartiguenave, Michèle; Beauchamp, André L. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 23 |
Pages of publication | 3520 |
a | 12.952 ± 0.01 Å |
b | 15.892 ± 0.009 Å |
c | 15.898 ± 0.01 Å |
α | 82.36 ± 0.05° |
β | 69.27 ± 0.06° |
γ | 68.09 ± 0.06° |
Cell volume | 2839 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0489 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for all reflections | 0.1089 |
Weighted residual factors for all reflections included in the refinement | 0.1042 |
Goodness-of-fit parameter for all reflections | 1.062 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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