Information card for entry 4314993

Structure parameters

• Formula: C21 H43 Ce Co N3 O19 P3
• Calculated formula: C21 H43 Ce Co N3 O19 P3
• SMILES: [Ce]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)(ON(=O)=[O]4)[O]=N(O5)=O.O1CCCC1
• 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: 13.4996 ± 0.0008 Å
• b: 13.5632 ± 0.0008 Å
• c: 19.4555 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3562.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No