Information card for entry 4314994

Structure parameters

• Formula: C58 H86 Ce Co2 N4 O35 P8
• Calculated formula: C58 H44 Ce Co2 N4 O35 P8
• Title of publication: Hydrolysis of Bis(p-nitrophenyl)phosphate by Tetravalent Metal Complexes with Kläui's Oxygen Tripodal Ligand
• Authors of publication: Xiao-Yi Yi; Tony C. H. Lam; Ian D. Williams; Wa-Hung Leung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2232 - 2238
• a: 12.5077 ± 0.0005 Å
• b: 29.5374 ± 0.0012 Å
• c: 21.9626 ± 0.0009 Å
• α: 90°
• β: 95.051 ± 0.001°
• γ: 90°
• Cell volume: 8082.5 ± 0.6 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No