Information card for entry 4317490

Structure parameters

• Common name: [Co2(m-O2CArTol)2(O2CArTol)2(C5H5N)2]
• Formula: C96 H78 Cl4 Co2 N2 O8
• Calculated formula: C96 H78 Cl4 Co2 N2 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: 10.6629 ± 0.0014 Å
• b: 14.5496 ± 0.0019 Å
• c: 14.7554 ± 0.0019 Å
• α: 109.868 ± 0.002°
• β: 103.561 ± 0.002°
• γ: 95.425 ± 0.002°
• Cell volume: 2054.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No