Information card for entry 4323692

Structure parameters

• Common name: 97035
• Formula: C34 H41 Cl3 Fe2 N10 O17
• Calculated formula: C34 H41 Cl3 Fe2 N10 O17
• Title of publication: Models for Amide Ligation in Nonheme Iron Enzymes
• Authors of publication: Sanjay K. Mandal; Lawrence Que
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5424 - 5425
• a: 13.6381 ± 0.0002 Å
• b: 23.559 ± 0.0003 Å
• c: 15.7021 ± 0.0002 Å
• α: 90°
• β: 108.594 ± 0.001°
• γ: 90°
• Cell volume: 4781.74 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1217
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections: 0.2375
• Weighted residual factors for significantly intense reflections: 0.2132
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No