Information card for entry 4304207

Structure parameters

• Formula: C22 H51 Cl2 N2 P2 Si Ti
• Calculated formula: C22 H51 Cl2 N2 P2 Si Ti
• SMILES: [Ti]123(Cl)(Cl)[Si]([N]2(CCP(C(C)C)C(C)C)CC[P]1(C(C)C)C(C)C)(N3C(C)(C)C)(C)C
• Title of publication: First-Row Transition Metal-Halide Complexes Supported by a Monoanionic [N2P2] Ligand
• Authors of publication: Wayne A. Chomitz; Seth F. Mickenberg; John Arnold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 373 - 380
• a: 15.9 ± 0.004 Å
• b: 8.003 ± 0.002 Å
• c: 24.274 ± 0.006 Å
• α: 90°
• β: 96.056 ± 0.004°
• γ: 90°
• Cell volume: 3071.6 ± 1.3 ų
• Cell temperature: 127 ± 2 K
• Ambient diffraction temperature: 127 ± 2 K
• Number of distinct elements: 7
• 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: 0.1164
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.538
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No