Information card for entry 7012455

Structure parameters

• Formula: C47 H64 Hf N8 P4
• Calculated formula: C47 H64 Hf N8 P4
• SMILES: [Hf]1234(N(c5ccccc5)P5N(C(C)(C)C)P([N]15C(C)(C)C)N2c1ccccc1)N(c1ccccc1)P1N(C(C)(C)C)P([N]31C(C)(C)C)N4c1ccccc1.c1ccc(cc1)C
• 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: 11.994 ± 0.003 Å
• b: 13.134 ± 0.004 Å
• c: 16.365 ± 0.005 Å
• α: 90.765 ± 0.01°
• β: 101.6 ± 0.03°
• γ: 99.39 ± 0.02°
• Cell volume: 2488.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No