Information card for entry 7050962

Structure parameters

• Formula: C45 H39 Cl N3 O P2 Rh S
• Calculated formula: C45 H39 Cl N3 O P2 Rh S
• SMILES: [Rh]12(Cl)(SC(=N[N]2=C(C)c2ccccc2O1)N)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, structure and redox properties of some thiosemicarbazone complexes of rhodium
• Authors of publication: Dutta, Swati; Basuli, Falguni; Peng, Shie-Ming; Lee, Gene-Hsiang; Bhattacharya, Samaresh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 1607
• a: 23.236 ± 0.003 Å
• b: 17.497 ± 0.004 Å
• c: 19.446 ± 0.003 Å
• α: 90°
• β: 90.055 ± 0.013°
• γ: 90°
• Cell volume: 7906 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• 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: 0.0778
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No