Information card for entry 4305978

Structure parameters

• Formula: C20 H48.7 Cl2 N3 O4.35 Rh S3
• Calculated formula: C20 H30 Cl2 N3 O4.35714 Rh S3
• 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: 18.478 ± 0.003 Å
• b: 22.337 ± 0.004 Å
• c: 24.275 ± 0.003 Å
• α: 90°
• β: 99.449 ± 0.006°
• γ: 90°
• Cell volume: 9883 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/a 1
• Hall space group symbol: -P 2ya
• Residual factor for all reflections: 0.1349
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No