Information card for entry 7042659

Structure parameters

• Formula: C58 H82 Cl2 O2 P2 Rh2 Si6
• Calculated formula: C58 H82 Cl2 O2 P2 Rh2 Si6
• SMILES: c12ccccc1C[Si](C)(C)[Rh]134[Si](Cc5c(cccc5)[P]21c1c(C[Si](C)(C)O[Si](Cc2c(cccc2)[P]25c6c(C[Si](C)(C)[Rh]5([Si](C)(C)Cc5c2cccc5)([Cl]3)[Cl]4)cccc6)(C)C)cccc1)(C)C.CCOCC
• 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: 18.7944 ± 0.0011 Å
• b: 13.7302 ± 0.0008 Å
• c: 23.8886 ± 0.0013 Å
• α: 90°
• β: 94.744 ± 0.003°
• γ: 90°
• Cell volume: 6143.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.042
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No