Information card for entry 4129511

Structure parameters

• Formula: C96.69 H79.66 F6 Fe4 N14.87 O11.13 S2
• Calculated formula: C96.27 H79.945 F6 Fe4 N14.865 O11.135 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: 24.4372 ± 0.0011 Å
• b: 30.6281 ± 0.0015 Å
• c: 24.9731 ± 0.0012 Å
• α: 90°
• β: 95.4328 ± 0.0015°
• γ: 90°
• Cell volume: 18607.5 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No