Information card for entry 4077504

Structure parameters

• Formula: C58.5 H80 Cl2 N4 O P2 Si2 Zr
• Calculated formula: C58.5 H76 Cl2 N4 O P2 Si2 Zr
• Title of publication: Nucleophilic Reactivity of the Multiply Bonded Carbon Center in Group 4−Pincer Bis(iminophosphorano)methanediide Complexes
• Authors of publication: Kamalesh Babu, Ruppa P.; McDonald, Robert; Cavell, Ronald G.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 3462
• a: 11.5636 ± 0.0008 Å
• b: 18.4194 ± 0.0012 Å
• c: 28.0498 ± 0.0019 Å
• α: 90°
• β: 94.0569 ± 0.0013°
• γ: 90°
• Cell volume: 5959.5 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• 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: 0.1015
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No