Information card for entry 4129509

Structure parameters

• Formula: C92 H80 B F4 Fe4 N12 O6
• Calculated formula: C92.004 H80.01 B F4 Fe4 N12 O6.001
• 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: 40.1338 ± 0.001 Å
• b: 17.6952 ± 0.0004 Å
• c: 25.3732 ± 0.0006 Å
• α: 90°
• β: 113.558 ± 0.0013°
• γ: 90°
• Cell volume: 16517.6 ± 0.7 ų
• Cell temperature: 100 ± 2 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: 0.1068
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No