Information card for entry 7001509

Structure parameters

• Formula: C48 H76 Fe2 N2 S6
• Calculated formula: C48 H76 Fe2 N2 S6
• Title of publication: A convenient ligand exchange pathway to [2Fe‒2S] ferredoxin analogues
• Authors of publication: Ballmann, Joachim; Sun, Xianru; Dechert, Sebastian; Schneider, Benjamin; Meyer, Franc
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 25
• Pages of publication: 4908 - 4917
• a: 10.1076 ± 0.0003 Å
• b: 16.2036 ± 0.0004 Å
• c: 15.7653 ± 0.0005 Å
• α: 90°
• β: 98.146 ± 0.003°
• γ: 90°
• Cell volume: 2555.98 ± 0.13 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.055
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No