Information card for entry 4078355

Structure parameters

• Formula: C44 H54 Cl2 P3 Rh Sn
• Calculated formula: C44 H54 Cl2 P3 Rh Sn
• SMILES: ClCCl.[Rh]([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1ccccc1)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)C#Cc1ccccc1
• 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: 9.783 ± 0.003 Å
• b: 19.22 ± 0.006 Å
• c: 24.25 ± 0.08 Å
• α: 90°
• β: 98.5 ± 0.2°
• γ: 90°
• Cell volume: 4510 ± 15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.0725
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No