Information card for entry 4103957

Structure parameters

• Formula: C76 H96 Cl8 Fe2 N10 O2
• Calculated formula: C76 H96 Cl8 Fe2 N10 O2
• Title of publication: A Stable Hyponitrite-Bridged Iron Porphyrin Complex
• Authors of publication: Nan Xu; Adam L. O. Campbell; Douglas R. Powell; Jana Khandogin; George B. Richter-Addo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2460 - 2461
• a: 11.783 ± 0.004 Å
• b: 13.808 ± 0.005 Å
• c: 14.15 ± 0.005 Å
• α: 61.399 ± 0.008°
• β: 73.84 ± 0.008°
• γ: 76.439 ± 0.007°
• Cell volume: 1927.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No