Information card for entry 4107216

Structure parameters

• Formula: C28 H20 Fe4 N16 O8
• Calculated formula: C28 H20 Fe4 N16 O8
• SMILES: c1n2c3c([n]1[Fe](N=O)(N=O)n1c4ccccc4[n](c1)[Fe](N=O)(N=O)n1c[n](c4c1cccc4)[Fe](N=O)(N=O)[n]1cn(c4ccccc14)[Fe]2(N=O)N=O)cccc3
• Title of publication: Self-Assembly of Dinitrosyl Iron Units into Imidazolate-Edge-Bridged Molecular Squares: Characterization Including Mössbauer Spectroscopy
• Authors of publication: Jennifer L. Hess; Chung-Hung Hsieh; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 20426 - 20434
• a: 24.348 ± 0.014 Å
• b: 7.37 ± 0.004 Å
• c: 20.786 ± 0.011 Å
• α: 90°
• β: 103.239 ± 0.006°
• γ: 90°
• Cell volume: 3631 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.1
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No