Information card for entry 4304460

Structure parameters

• Common name: 99051Z
• Formula: C9 H22 F6 Mn N3 O4 P
• Calculated formula: C9 H22 F6 Mn N3 O4 P
• Title of publication: Modeling the Resting State of Oxalate Oxidase and Oxalate Decarboxylase Enzymes
• Authors of publication: Marciela Scarpellini; Jessica Gätjens; Ola J. Martin; Jeff W. Kampf; Suzanne E. Sherman; Vincent L. Pecoraro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3584 - 3593
• a: 8.4448 ± 0.0017 Å
• b: 13.954 ± 0.003 Å
• c: 14.415 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1698.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No