Information card for entry 4088977

Structure parameters

• Formula: C57 H81 N O2 P2 Zr
• Calculated formula: C57 H81 N O2 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: 31.3061 ± 0.0015 Å
• b: 10.346 ± 0.0005 Å
• c: 16.5525 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5361.2 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No