Information card for entry 4068396

Structure parameters

• Formula: C45 H40 B Cl N6 P2 Ru
• Calculated formula: C45 H40 B Cl N6 P2 Ru
• Title of publication: Chlorination of Boron on a Ruthenium-Coordinated Hydridotris(pyrazolyl)borate (Tp) Ligand: A Caveat for the Use of TpRu(PPh3)2Cl
• Authors of publication: Foley, Nicholas A.; Abernethy, Robyn J.; Gunnoe, T. Brent; Hill, Anthony F.; Boyle, Paul D.; Sabat, Michal
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 374
• a: 17.6883 ± 0.0004 Å
• b: 12.2903 ± 0.0003 Å
• c: 18.8918 ± 0.0004 Å
• α: 90°
• β: 107.996 ± 0.0008°
• γ: 90°
• Cell volume: 3906.06 ± 0.16 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.047
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No