Information card for entry 4339762

Structure parameters

• Common name: Ru(II)EDBTPDPP Br
• Chemical name: ethane-1,2-diylbis(thio-2,1-phenylene)diphenylphosine)ruthenium(II)bromide
• Formula: C60.5 H49.75 Br Cl0.75 P3 Ru S3
• Calculated formula: C60.5 H49.75 Br Cl0.75 P3 Ru S3
• Title of publication: Carbon-sulfur bond formation via alkene addition to an oxidized ruthenium thiolate.
• Authors of publication: Grapperhaus, Craig A.; Venna, Kiran B.; Mashuta, Mark S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 8044 - 8050
• a: 10.2565 ± 0.0009 Å
• b: 13.2338 ± 0.0012 Å
• c: 38.325 ± 0.003 Å
• α: 90°
• β: 93.396 ± 0.001°
• γ: 90°
• Cell volume: 5192.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No