Information card for entry 4305979

Structure parameters

• Formula: C20 H32 Cl2 N3 O Rh S3
• Calculated formula: C20 H32 Cl2 N3 O Rh S3
• SMILES: [Rh]1234(SCC[NH2]2)[S](CC[NH2]3)Cc2ccccc2c2ccccc2C[S]1CC[NH2]4.[Cl-].[Cl-].O
• Title of publication: Separation and Optical Resolution of a Pair of atrop Diastereomers of the Octahedral Rhodium(III) Complex with a Nine-Membered S,S-Chelate Ring
• Authors of publication: Nobuto Yoshinari; Takumi Konno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7450 - 7452
• a: 9.6465 ± 0.0018 Å
• b: 10.9607 ± 0.0017 Å
• c: 12.3005 ± 0.0014 Å
• α: 83.776 ± 0.012°
• β: 75.004 ± 0.014°
• γ: 86.571 ± 0.012°
• Cell volume: 1248.2 ± 0.3 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: 0.0405
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No