Information card for entry 7009351

Structure parameters

• Formula: C30 H40 Cl2 N4 O8 Rh2 S2
• Calculated formula: C30 H30 Cl2 N4 O8 Rh2 S2
• Title of publication: Structural difference due to intramolecular stacking interactions in dinuclear rhodium(III) complexes [{Rh(η5-C5Me5)(L)}2]n+ containing pyrimidine-2-thionate and related ligands
• Authors of publication: Yamanari, Kazuaki; Fukuda, Ito; Yamamoto, Shiori; Kushi, Yoshihiko; Fuyuhiro, Akira; Kubota, Naoko; Fukuo, Tsuyoshi; Arakawa, Ryuichi
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 2131
• a: 15.164 ± 0.003 Å
• b: 12.762 ± 0.004 Å
• c: 21.467 ± 0.003 Å
• α: 90°
• β: 108.04 ± 0.01°
• γ: 90°
• Cell volume: 3950.1 ± 1.6 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 2.115
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No