Information card for entry 7024283

Structure parameters

• Formula: C62.4 H72 N5 Ni O4.6 P
• Calculated formula: C62.4 H72 N5 Ni O4.6 P
• Title of publication: Chelating tris(amidate) ligands: versatile scaffolds for nickel(II).
• Authors of publication: Jones, Matthew B.; Newell, Brian S.; Hoffert, Wesley A.; Hardcastle, Kenneth I.; Shores, Matthew P.; MacBeth, Cora E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 401 - 410
• a: 14.4575 ± 0.0008 Å
• b: 15.1016 ± 0.0008 Å
• c: 15.4786 ± 0.0008 Å
• α: 64.786 ± 0.003°
• β: 72.689 ± 0.003°
• γ: 77.867 ± 0.003°
• Cell volume: 2905.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No