Information card for entry 2005991

Structure parameters

• Chemical name: Chlorobis(dimethylphenylphosphine){bis(thiodiphenylphosphino)amido-S,S'}- nitridorhenium(V)
• Formula: C40 H42 Cl N2 P4 Re S2
• Calculated formula: C40 H42 Cl N2 P4 Re S2
• SMILES: [Re]1(Cl)(#N)([P](c2ccccc2)(C)C)([P](c2ccccc2)(C)C)SP(=NP(=[S]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: [Bis(thiodiphenylphosphino-<i>S</i>)amido]chlorobis(dimethylphenylphosphine-<i>P</i>)nitridorhenium(V)
• Authors of publication: Abram, U.; Schulz Lang, E.; Dilworth, J. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 289 - 292
• a: 10.476 ± 0.001 Å
• b: 19.543 ± 0.003 Å
• c: 20.69 ± 0.003 Å
• α: 74.32 ± 0.07°
• β: 89.44 ± 0.07°
• γ: 81.22 ± 0.06°
• Cell volume: 4028.3 ± 1.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0812
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.0846
• Goodness-of-fit parameter for all reflections: 1.122
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No