Information card for entry 4129512

Structure parameters

• Formula: C91 H74 Cl2 F6 Fe4 N13 O13 S2
• Calculated formula: C91 H74 Cl2 F6 Fe4 N13 O13 S2
• Title of publication: Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.
• Authors of publication: de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 44
• Pages of publication: 14094 - 14106
• a: 23.0449 ± 0.001 Å
• b: 16.4976 ± 0.0006 Å
• c: 24.0586 ± 0.001 Å
• α: 90°
• β: 96.5282 ± 0.0013°
• γ: 90°
• Cell volume: 9087.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.05 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.2041
• Weighted residual factors for all reflections included in the refinement: 0.2197
• 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