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Information card for entry 4323173
Preview
Coordinates | 4323173.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Tetra-n-butylammonium-tris(μ2-diethylphosphido)-hexachloro- di-rhenium (IV) |
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Chemical name | Tetra-n-butylammonium-tris(μ2-diethylphosphido)-bis(trichloro)- di-rhenium (IV) |
Formula | C28 H66 Cl6 N P3 Re2 |
Calculated formula | C28 H66 Cl6 N P3 Re2 |
SMILES | [Re]123([Re]([P]1(CC)CC)([P]2(CC)CC)([P]3(CC)CC)(Cl)(Cl)Cl)(Cl)(Cl)Cl.[N+](CCCC)(CCCC)(CCCC)CCCC |
Title of publication | Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 3. Novel Structures with Diethylphosphido-bridges and Terminal Diethylphosphines |
Authors of publication | F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina |
Journal of publication | Inorganic Chemistry |
Year of publication | 1998 |
Journal volume | 37 |
Pages of publication | 6035 - 6043 |
a | 10.482 ± 0.001 Å |
b | 16.512 ± 0.002 Å |
c | 23.986 ± 0.002 Å |
α | 90° |
β | 93.637 ± 0.008° |
γ | 90° |
Cell volume | 4143.1 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0909 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for all reflections | 0.0904 |
Weighted residual factors for significantly intense reflections | 0.0765 |
Goodness-of-fit parameter for all reflections | 1.042 |
Goodness-of-fit parameter for significantly intense reflections | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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