Information card for entry 7010305

Structure parameters

• Formula: C31.5 H51 Cl3 N6 P2 Ti
• Calculated formula: C31 H50 Cl3 N6 P2 Ti
• Title of publication: Titanium complexes of bis(1°-amido)cyclodiphosph(III)azanes and bis(1°-amido)cyclodiphosph(V)azanes: facial versus lateral coordination †
• Authors of publication: Moser, Daniel F.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1246
• a: 10.594 ± 0.001 Å
• b: 24.816 ± 0.003 Å
• c: 14.361 ± 0.002 Å
• α: 90°
• β: 97.151 ± 0.004°
• γ: 90°
• Cell volume: 3746.1 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.1296
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No