Information card for entry 4508365

Structure parameters

• Chemical name: Tris(acetonitrile)(nitrosyl)[(oxydibenzene-2,1-diyl)bis(diphenylphosphane-κ<i>P</i>)]molybdenum tetrakis[3'5-bis(trifluoromethyl)phenyl]borate hemipentane solvate
• Formula: C153 H110 B2 F48 Mo2 N8 O4 P4
• Calculated formula: C153 H110 B2 F48 Mo2 N8 O4 P4
• Title of publication: Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation
• Authors of publication: Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz
• Journal of publication: ACS Catalysis
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 2208
• a: 12.4979 ± 0.0002 Å
• b: 15.4233 ± 0.0003 Å
• c: 19.774 ± 0.0004 Å
• α: 88.382 ± 0.002°
• β: 81.163 ± 0.002°
• γ: 87.527 ± 0.001°
• Cell volume: 3761.96 ± 0.12 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No