Information card for entry 4307540

Structure parameters

• Formula: C57 H79 K N2 O6 P3 Re
• Calculated formula: C57 H79 K N2 O6 P3 Re
• SMILES: [ReH4]([P](C)(c1ccccc1)c1ccccc1)([P](C)(c1ccccc1)c1ccccc1)[P](C)(c1ccccc1)c1ccccc1.[K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9
• Title of publication: Properties of the Polyhydride Anions [WH5(PMe2Ph)3]- and [ReH4(PMePh2)3]- and Periodic Trends in the Acidity of Polyhydride Complexes
• Authors of publication: Justin G. Hinman; Alan J. Lough; Robert H. Morris
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4392 - 4401
• a: 26.6572 ± 0.0003 Å
• b: 13.7512 ± 0.0002 Å
• c: 31.9934 ± 0.0004 Å
• α: 90°
• β: 102.663 ± 0.001°
• γ: 90°
• Cell volume: 11442.5 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• 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: 0.0951
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No