Information card for entry 4088976

Structure parameters

• Formula: C38 H57 Cl2 N O P2 Zr
• Calculated formula: C38 H57 Cl2 N O P2 Zr
• Title of publication: Reactivity Studies of a Zirconium Methylidene Complex: Group Transfer and Methylenation Reactions
• Authors of publication: Kurogi, Takashi; Kamitani, Masahiro; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 36
• Journal issue: 1
• Pages of publication: 74
• a: 12.071 ± 0.003 Å
• b: 17.963 ± 0.004 Å
• c: 17.976 ± 0.005 Å
• α: 90°
• β: 90.045 ± 0.011°
• γ: 90°
• Cell volume: 3897.8 ± 1.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No