Information card for entry 4349187

Structure parameters

• Formula: C83.5 H98.5 B2 Fe2 N10.5 O2
• Calculated formula: C83.5 H98.5 B2 Fe2 N10.5 O2
• 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: 21.485 ± 0.004 Å
• b: 17.045 ± 0.003 Å
• c: 21.035 ± 0.004 Å
• α: 90°
• β: 95.12 ± 0.03°
• γ: 90°
• Cell volume: 7673 ± 2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.0747
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No