Information card for entry 4317495

Structure parameters

• Common name: [Ni2(m-O2CArTol)4(C5H5N)2]
• Formula: C95.5 H81 Cl3 N2 Ni2 O8
• Calculated formula: C95.5 H81 Cl3 N2 Ni2 O8
• 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: 14.5501 ± 0.0017 Å
• b: 15.2644 ± 0.0018 Å
• c: 19.321 ± 0.002 Å
• α: 88.881 ± 0.002°
• β: 81.516 ± 0.002°
• γ: 75.843 ± 0.002°
• Cell volume: 4114.7 ± 0.8 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No