Information card for entry 4129510

Structure parameters

• Formula: C90.1 H67.3 Cl1.78 F9 Fe4 N12 O13.55 S3
• Calculated formula: C90.0986 H67.301 Cl1.782 F9 Fe4 N12 O13.5519 S3
• 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: 15.456 ± 0.0007 Å
• b: 15.4962 ± 0.0007 Å
• c: 19.2923 ± 0.001 Å
• α: 99.6189 ± 0.0019°
• β: 94.3724 ± 0.0019°
• γ: 93.4051 ± 0.0018°
• Cell volume: 4530.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No