Information card for entry 2007073

Structure parameters

• Common name: 2,2-di-t-butylamino-4,4,6,6-tetrakis(3,5-dimethylpyrazol-1-yl)- cycltriphosphazene cobalt(II)chloride
• Formula: C28 H48 Cl2 Co N13 P3
• Calculated formula: C28 H48 Cl2 Co N13 P3
• SMILES: [Co]12(Cl)(Cl)[N]3=P(N=P(N=P3([n]3[n]2c(cc3C)C)n2nc(cc2C)C)(NC(C)(C)C)NC(C)(C)C)([n]2[n]1c(cc2C)C)n1nc(cc1C)C
• Title of publication: A Novel Cyclotriphosphazene Complex with a Short Transannular P···P Contact
• Authors of publication: K. R. Justin Thomas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 331 - 333
• a: 11.503 ± 0.005 Å
• b: 17.843 ± 0.005 Å
• c: 19.132 ± 0.009 Å
• α: 90°
• β: 106.51 ± 0.03°
• γ: 90°
• Cell volume: 3765 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.077
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes