Information card for entry 4320733

Structure parameters

• Formula: C50 H40 Cl6 N2 Ru S2
• Calculated formula: C50 H40 Cl6 N2 Ru S2
• Title of publication: Structure and Characterization of the First Metal Complex of Dithiaporphyrin: Ru(S2TTP)Cl2
• Authors of publication: Chen-Hsiung Hung; Chen-Kuo Ou; Gene-Hsiang Lee; Shie-Ming Peng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6845 - 6847
• a: 11.1025 ± 0.0009 Å
• b: 15.1884 ± 0.0012 Å
• c: 15.3086 ± 0.0013 Å
• α: 86.326 ± 0.002°
• β: 71.225 ± 0.002°
• γ: 73.912 ± 0.002°
• Cell volume: 2347.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No