Information card for entry 4312155

Structure parameters

• Formula: C40 H57 Cu N O4 S2
• Calculated formula: C40 H57 Cu N O4 S2
• Title of publication: Snapshots of a Metamorphosing Cu(II) Ground State in a Galactose Oxidase-Inspired Complex
• Authors of publication: Russell C. Pratt; Liviu M. Mirica; T. Daniel P. Stack
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8030 - 8039
• a: 12.769 ± 0.002 Å
• b: 13.517 ± 0.002 Å
• c: 13.569 ± 0.002 Å
• α: 99.592 ± 0.003°
• β: 106.493 ± 0.003°
• γ: 108.579 ± 0.003°
• Cell volume: 2041.7 ± 0.5 ų
• Cell temperature: 169 ± 2 K
• Ambient diffraction temperature: 169 ± 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: 0.1914
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No