Information card for entry 4326971

Structure parameters

• Formula: C48 H36 N4 O6 Ru S2
• Calculated formula: C48 H36 N4 O6 Ru S2
• Title of publication: Ruthenium Complexes of Thiaporphyrin and Dithiaporphyrin
• Authors of publication: Chuan-Hung Chuang; Chen-Kuo Ou; Shan-Tung Liu; Anil Kumar; Wei-Min Ching; Pei-Chun Chiang; Mira Anne C. dela Rosa; Chen-Hsiung Hung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11947 - 11957
• a: 18.6072 ± 0.0017 Å
• b: 7.8135 ± 0.0007 Å
• c: 17.3417 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2521.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.707
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No