Information card for entry 4078356

Structure parameters

• Formula: C34 H52 I P2 Rh
• Calculated formula: C34 H52 I P2 Rh
• SMILES: [Rh]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(I)[CH](=[CH]1C#Cc1ccccc1)c1ccccc1
• Title of publication: Five- and Six-Coordinate Bis(alkynyl)rhodium(III) Complexes Containing a Rh−SnPh3Bond
• Authors of publication: Werner, Helmut; Gevert, Olaf; Haquette, Pierre
• Journal of publication: Organometallics
• Year of publication: 1997
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 803
• a: 12.719 ± 0.009 Å
• b: 12.474 ± 0.004 Å
• c: 24.5 ± 0.04 Å
• α: 90°
• β: 93.05 ± 0.04°
• γ: 90°
• Cell volume: 3882 ± 7 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: 0.0428
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.0631
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No