Information card for entry 7012457

Structure parameters

• Formula: C24 H36 Cl N4 O P2 V
• Calculated formula: C24 H36 Cl N4 O P2 V
• SMILES: [V]12(N(c3ccccc3)P3N(C(C)(C)C)P([N]23C(C)(C)C)N1c1ccccc1)(Cl)[O]1CCCC1
• 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: 10.4689 ± 0.0001 Å
• b: 12.8799 ± 0.0002 Å
• c: 20.986 ± 0.0001 Å
• α: 90°
• β: 102.52 ± 0.001°
• γ: 90°
• Cell volume: 2762.43 ± 0.05 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No