Information card for entry 4508369

Structure parameters

• Chemical name: Chloro[(2-{[2'-(diphenylphosphanyl-κ<i>P</i>)biphenyl-2-yl]oxy-κ<i>O</i>}phenyl)(diphenyl)phosphane-κ<i>P</i>](nitrosyl)(triphenylphosphane)molybdenum
• Formula: C54 H43 Cl Mo N O2 P3
• Calculated formula: C54 H43 Cl Mo N O2 P3
• 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: 19.3956 ± 0.0003 Å
• b: 12.6738 ± 0.0002 Å
• c: 20.4746 ± 0.0003 Å
• α: 90°
• β: 114.639 ± 0.002°
• γ: 90°
• Cell volume: 4574.74 ± 0.14 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No