Information card for entry 4318801

Structure parameters

• Common name: 02098m
• Formula: C77 H98 Cu2 N5 S
• Calculated formula: C77 H98 Cu2 N5 S
• Title of publication: Toward Synthetic Analogues of Linked Redox and Catalytic Multimetal Sites in Proteins: A Model of the Histidine-Cysteine Bridged Dicopper Array
• Authors of publication: Way-Zen Lee; William B. Tolman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5656 - 5658
• a: 9.94 ± 0.0007 Å
• b: 21.4515 ± 0.0015 Å
• c: 34.032 ± 0.002 Å
• α: 90°
• β: 93.661 ± 0.002°
• γ: 90°
• Cell volume: 7241.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1228
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No