Information card for entry 4349188

Structure parameters

• Formula: C77.5 H88.5 B2 Fe2 N10.5 O4
• Calculated formula: C77.5 H88.5 B2 Fe2 N10.5 O4
• 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: 12.585 ± 0.003 Å
• b: 23.041 ± 0.005 Å
• c: 25.469 ± 0.005 Å
• α: 100.83 ± 0.03°
• β: 90.48 ± 0.03°
• γ: 104.63 ± 0.03°
• Cell volume: 7006 ± 3 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: 0.1388
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No