Information card for entry 4314995

Structure parameters

• Formula: C58 H90 Ce2 Co2 N4 O38 P8
• Calculated formula: C58 H90 Ce2 Co2 N4 O38 P8
• SMILES: [Ce]12345(O[P]([Co]6789([P](OCC)(OCC)O1)([P](OCC)(OCC)O2)[cH]1[cH]8[cH]9[cH]6[cH]71)(OCC)OCC)([O]=P(O[Ce]1267(O[P]([Co]89%10%11([P](OCC)(OCC)O1)([P](OCC)(OCC)O2)[cH]1[cH]8[cH]9[cH]%10[cH]%111)(OCC)OCC)([O]=P(O3)(Oc1ccccc1)Oc1ccccc1)([O]=N(=O)O6)[O]=N(=O)O7)(Oc1ccccc1)Oc1ccccc1)([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: 13.8865 ± 0.0002 Å
• b: 24.9546 ± 0.0003 Å
• c: 24.3263 ± 0.0004 Å
• α: 90°
• β: 99.742 ± 0.002°
• γ: 90°
• Cell volume: 8308.3 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1378
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No