Information card for entry 4317496

Structure parameters

• Common name: [Ni2(m-OH)2(m-O2CArTol)2(HO2CArTol)2(C5H5N)2]
• Formula: C96 H82 Cl4 N2 Ni2 O10
• Calculated formula: C96 H82 Cl4 N2 Ni2 O10
• Title of publication: Sterically Hindered Carboxylate Ligands Support Water-Bridged Dimetallic Centers That Model Features of Metallohydrolase Active Sites
• Authors of publication: Dongwhan Lee; Pei-Lin Hung; Bernhard Spingler; Stephen J. Lippard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 521 - 531
• a: 11.5584 ± 0.0002 Å
• b: 16.0409 ± 0.0002 Å
• c: 23.4924 ± 0.0003 Å
• α: 90°
• β: 100.213 ± 0.001°
• γ: 90°
• Cell volume: 4286.65 ± 0.11 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 6
• 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: 0.1072
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No