Information card for entry 4088975

Structure parameters

• Formula: C95 H154 N2 O4 P4 Zr2
• Calculated formula: C90 H142 N2 O4 P4 Zr2
• 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: 12.9074 ± 0.0005 Å
• b: 12.9602 ± 0.0004 Å
• c: 15.8333 ± 0.0006 Å
• α: 83.298 ± 0.002°
• β: 86.298 ± 0.002°
• γ: 60.308 ± 0.002°
• Cell volume: 2285.08 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No