Information card for entry 4349190

Structure parameters

• Formula: C25 H47 Cl Fe2 N8 O8
• Calculated formula: C25 H47 Cl Fe2 N8 O8
• Title of publication: Reductive Transformations of a Pyrazolate-Based Bioinspired Diiron-Dinitrosyl Complex.
• Authors of publication: Kindermann, Nicole; Schober, Anne; Demeshko, Serhiy; Lehnert, Nicolai; Meyer, Franc
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11538 - 11550
• a: 10.822 ± 0.002 Å
• b: 10.938 ± 0.002 Å
• c: 14.174 ± 0.003 Å
• α: 96.57 ± 0.03°
• β: 99.94 ± 0.03°
• γ: 95 ± 0.03°
• Cell volume: 1631.9 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No