Information card for entry 7003296

Structure parameters

• Formula: C45 H59 B12 N O3 P2 Ru
• Calculated formula: C45 H59 B12 N O3 P2 Ru
• Title of publication: Amino-closo-dodecaborate—a new ligand in coordination chemistry
• Authors of publication: Kirchmann, Marius; Wesemann, Lars
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 4
• Pages of publication: 444 - 446
• a: 12.2949 ± 0.0011 Å
• b: 14.3825 ± 0.0012 Å
• c: 15.2259 ± 0.0013 Å
• α: 76.312 ± 0.007°
• β: 76.326 ± 0.007°
• γ: 67.583 ± 0.006°
• Cell volume: 2386 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No