Information card for entry 7010302

Structure parameters

• Formula: C16 H36 Cl2 N4 P2 Ti
• Calculated formula: C16 H36 Cl2 N4 P2 Ti
• SMILES: [Ti]12(Cl)(Cl)N(C(C)(C)C)P3N(C(C)(C)C)P([N]23C(C)(C)C)N1C(C)(C)C
• 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: 9.9454 ± 0.0001 Å
• b: 15.1386 ± 0.0001 Å
• c: 15.9841 ± 0.0001 Å
• α: 90°
• β: 93.614 ± 0.001°
• γ: 90°
• Cell volume: 2401.77 ± 0.03 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No