Information card for entry 4129508

Structure parameters

• Formula: C89.65 H66.3 Cl1.3 F9 Fe4 N13 O15 S3
• Calculated formula: C89.6516 H66.3032 Cl1.3032 F9 Fe4 N13 O15 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: 17.9136 ± 0.0012 Å
• b: 20.5955 ± 0.0014 Å
• c: 26.4341 ± 0.0019 Å
• α: 76.679 ± 0.002°
• β: 72.463 ± 0.002°
• γ: 83.139 ± 0.002°
• Cell volume: 9035.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.05 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: 0.1305
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2421
• Weighted residual factors for all reflections included in the refinement: 0.265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No