Information card for entry 7010528

Structure parameters

• Formula: C25 H44 Cl4 N2 P2 Ti2
• Calculated formula: C25 H44 Cl4 N2 P2 Ti2
• SMILES: [Ti]1234(Cl)(Cl)(N=P(CP(=N[Ti]5678(Cl)(Cl)[c]9([c]5([c]6([c]7([c]89C)C)C)C)C)(C)C)(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• 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: 8.228 ± 0.0006 Å
• b: 14.4238 ± 0.0011 Å
• c: 29.3043 ± 0.0013 Å
• α: 77.264 ± 0.005°
• β: 87.215 ± 0.005°
• γ: 80.334 ± 0.005°
• Cell volume: 3343.8 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections: 0.2179
• Weighted residual factors for significantly intense reflections: 0.2018
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No