Information card for entry 4313877

Structure parameters

• Formula: C134 H124 Cl4 N6 O4 P6 Rh3
• Calculated formula: C134 H124 Cl4 N6 O4 P6 Rh3
• SMILES: c12ccccc1C(C)=[N]1N=C(N(CC)CC)O[Rh]1(O2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.[P](c1ccccc1)(c1ccccc1)([Rh]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl)c1ccccc1.c12ccccc1C(C)=[N]1N=C(N(CC)CC)O[Rh]1(O2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• Title of publication: Unprecedented Chemical Transformation of Semicarbazones Mediated by Wilkinson's Catalyst
• Authors of publication: Indrani Pal; Swati Dutta; Falguni Basuli; Savitha Goverdhan; Shie-Ming Peng; Gene-Hsiang Lee; Samaresh Bhattacharya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4338 - 4345
• a: 12.1627 ± 0.0001 Å
• b: 16.4398 ± 0.0002 Å
• c: 16.5077 ± 0.0002 Å
• α: 112.386 ± 0.0005°
• β: 105.404 ± 0.0004°
• γ: 90.954 ± 0.0005°
• Cell volume: 2916.57 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0919
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No