Information card for entry 4309481

Structure parameters

• Formula: C37 H69 Ir P2 S2
• Calculated formula: C37 H69 Ir P2 S2
• SMILES: [IrH2]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[S]=CS1
• Title of publication: Dynamics of a cis-Dihydrogen/Hydride Complex of Iridium
• Authors of publication: H. V. Nanishankar; Saikat Dutta; Munirathinam Nethaji; Balaji R. Jagirdar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6203 - 6210
• a: 12.534 ± 0.009 Å
• b: 16.756 ± 0.011 Å
• c: 19.027 ± 0.013 Å
• α: 90°
• β: 107.66 ± 0.011°
• γ: 90°
• Cell volume: 3808 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No