Information card for entry 4314990

Structure parameters

• Formula: C17 H35 Co Hf N3 O18 P3
• Calculated formula: C17 H35 Co Hf N3 O18 P3
• SMILES: [Hf]12345(O[P]([Co]6789([P](OCC)(OCC)O1)([P](OCC)(OCC)O2)[cH]1[cH]9[cH]6[cH]7[cH]81)(OCC)OCC)([O]=N(=O)O3)([O]=N(=O)O4)ON(=[O]5)=O
• 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: 17.4459 ± 0.0001 Å
• b: 10.8349 ± 0.0001 Å
• c: 16.7314 ± 0.0001 Å
• α: 90°
• β: 93.085 ± 0.001°
• γ: 90°
• Cell volume: 3158.06 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0231
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No