Information card for entry 7042661

Structure parameters

• Formula: C54 H72 Cl2 Ir2 O P2 Si6
• Calculated formula: C54 H72 Cl2 Ir2 O P2 Si6
• 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: 13.7427 ± 0.0003 Å
• b: 24.3307 ± 0.0005 Å
• c: 20.5811 ± 0.0004 Å
• α: 90°
• β: 99.626 ± 0.002°
• γ: 90°
• Cell volume: 6784.8 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• 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: 0.0539
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No