Information card for entry 7012456

Structure parameters

• Formula: C20 H28 Cl2 N4 P2 Ti
• Calculated formula: C20 H28 Cl2 N4 P2 Ti
• SMILES: [Ti]12(Cl)(Cl)N(c3ccccc3)P3N(C(C)(C)C)P([N]23C(C)(C)C)N1c1ccccc1
• Title of publication: Bis(tert-butylamido)- and bis(arylamido)cyclodiphosph(iii)azane complexes of Ti, V, Zr and Hf: ligand substituent effects and coordination number
• Authors of publication: Moser, Daniel F.; Grocholl, Luke; Stahl, Lothar; Staples, Richard J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1402
• a: 9.2541 ± 0.0003 Å
• b: 15.4971 ± 0.0006 Å
• c: 16.7405 ± 0.0006 Å
• α: 90°
• β: 94.248 ± 0.01°
• γ: 90°
• Cell volume: 2394.19 ± 0.15 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No