Information card for entry 4102424

Structure parameters

• Formula: C20 H30 Fe2 N5 O4 S2
• Calculated formula: C20 H30 Fe2 N5 O4 S2
• Title of publication: Identification of Protein-Bound Dinitrosyl Iron Complexes by Nuclear Resonance Vibrational Spectroscopy
• Authors of publication: Zachary J. Tonzetich; Hongxin Wang; Devrani Mitra; Christine E. Tinberg; Loi H. Do; Francis E. Jenney; Michael W. W. Adams; Stephen P. Cramer; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6914 - 6916
• a: 8.1729 ± 0.0013 Å
• b: 10.0823 ± 0.0017 Å
• c: 15.84 ± 0.003 Å
• α: 90°
• β: 94.989 ± 0.003°
• γ: 90°
• Cell volume: 1300.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No