Information card for entry 7010527

Structure parameters

• Formula: C49 H62 Cl4 N2 O P2 Ti2
• Calculated formula: C49 H62 Cl4 N2 O P2 Ti2
• Title of publication: Mono- and bis-(iminophosphoranyl)methane titanium complexes
• Authors of publication: Kamalesh Babu, Ruppa P.; McDonald, Robert; Cavell, Ronald G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 2210
• a: 38.964 ± 0.003 Å
• b: 16.7659 ± 0.0013 Å
• c: 15.6148 ± 0.001 Å
• α: 90°
• β: 94.3748 ± 0.0017°
• γ: 90°
• Cell volume: 10170.9 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No