Information card for entry 7042660

Structure parameters

• Formula: C60 H70 Cl2 P2 Rh2 Si4
• Calculated formula: C60 H70 Cl2 P2 Rh2 Si4
• SMILES: c12ccccc1C[Si]([Rh]13([P]2(c2ccccc2C[Si]1(C)C)c1ccccc1)[Cl][Rh]12([P](c4ccccc4C[Si]1(C)C)(c1ccccc1C[Si]2(C)C)c1ccccc1)[Cl]3)(C)C.c1ccccc1.c1ccccc1
• Title of publication: A family of rhodium and iridium complexes with semirigid benzylsilyl phosphines: from bidentate to tetradentate coordination modes
• Authors of publication: Corona-González, María Vicky; Zamora-Moreno, Julio; Cuevas-Chávez, Cynthia A.; Rufino-Felipe, Ernesto; Mothes-Martin, Emmanuelle; Coppel, Yannick; Muñoz-Hernández, Miguel A.; Vendier, Laure; Flores-Alamo, Marcos; Grellier, Mary; Sabo-Etienne, Sylviane; Montiel-Palma, Virginia
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.7449 ± 0.00013 Å
• b: 21.9235 ± 0.0002 Å
• c: 12.012 ± 0.00013 Å
• α: 90°
• β: 108.261 ± 0.0012°
• γ: 90°
• Cell volume: 2937.2 ± 0.06 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0301
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No