Information card for entry 4324850

Structure parameters

• Formula: C64 H98 O4 P2 Ti
• Calculated formula: C64 H98 O4 P2 Ti
• Title of publication: Group 4 Complexes of a tert-Butylphosphine-Bridged Biphenolate Ligand
• Authors of publication: Lan-Chang Liang; Yu-Lin Hsu; Sheng-Ta Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3363 - 3372
• a: 12.3848 ± 0.0007 Å
• b: 30.7971 ± 0.0018 Å
• c: 18.5819 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7087.4 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.2176
• Weighted residual factors for all reflections included in the refinement: 0.2405
• 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