Information card for entry 4317491

Structure parameters

• Common name: [Co2(m-OH2)2(m-O2CArTol)2(O2CArTol)2(C5H5N)2]
• Formula: C96 H82 Cl4 Co2 N2 O10
• Calculated formula: C96 H82 Cl4 Co2 N2 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: 16.3156 ± 0.0005 Å
• b: 14.6729 ± 0.0005 Å
• c: 18.083 ± 0.0006 Å
• α: 90°
• β: 102.725 ± 0.001°
• γ: 90°
• Cell volume: 4222.7 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No