Information card for entry 7011762

Structure parameters

• Formula: C26 H24 Cl4 P2 Ti
• Calculated formula: C26 H24 Cl4 P2 Ti
• SMILES: [Ti]1(Cl)(Cl)(Cl)(Cl)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Single-source CVD routes to titanium phosphide
• Authors of publication: Blackman, Christopher S.; Carmalt, Claire J.; Parkin, Ivan P.; Apostolico, Leonardo; Molloy, Kieran C.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 2702
• a: 12.2287 ± 0.0015 Å
• b: 14.56 ± 0.002 Å
• c: 16.047 ± 0.004 Å
• α: 90°
• β: 111.254 ± 0.012°
• γ: 90°
• Cell volume: 2662.8 ± 0.9 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.1594
• Weighted residual factors for significantly intense reflections: 0.1306
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No