Information card for entry 7012452

Structure parameters

• Formula: C20 H30 N4 P2
• Calculated formula: C20 H30 N4 P2
• SMILES: c1(ccccc1)NP1N(C(C)(C)C)P(Nc2ccccc2)N1C(C)(C)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: 16.7769 ± 0.0005 Å
• b: 5.8729 ± 0.0002 Å
• c: 22.4726 ± 0.0006 Å
• α: 90°
• β: 102.09 ± 0.001°
• γ: 90°
• Cell volume: 2165.09 ± 0.11 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No