Information card for entry 4089320

Structure parameters

• Formula: C49 H54 Cl O3 P2 Rh Si
• Calculated formula: C49 H46 Cl O3 P2 Rh Si
• SMILES: [RhH](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](OCC)(OCC)OCC.c1ccccc1C
• Title of publication: Structure and Properties of Halogeno(hydrido)(triorganosilyl)rhodium(III) Complexes, RhX(H)(SiR1nR23-n)(PPh3)2(X = Cl, I; R1= OSiMe3, OEt, R2= Me). Influence of the Alkoxy Groups and Halo Ligand on Stability and Reactivity of the Complexes
• Authors of publication: Nishihara, Yasushi; Takemura, Miwa; Osakada, Kohtaro
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 825
• a: 13.053 ± 0.003 Å
• b: 18.541 ± 0.004 Å
• c: 10.173 ± 0.003 Å
• α: 101.35 ± 0.02°
• β: 92.2 ± 0.02°
• γ: 103.58 ± 0.02°
• Cell volume: 2337.1 ± 1 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections: 1.631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.63
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No