Information card for entry 4326972

Structure parameters

• Formula: C74 H60 N2 Ru S2 Se4
• Calculated formula: C74 H60 N2 Ru S2 Se4
• 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: 9.171 ± 0.002 Å
• b: 26.666 ± 0.007 Å
• c: 13.984 ± 0.004 Å
• α: 90°
• β: 93.957 ± 0.005°
• γ: 90°
• Cell volume: 3411.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 0.711
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No