Information card for entry 4341888

Structure parameters

• Formula: C134 H112 B2 F48 Fe2 N10 O6
• Calculated formula: C118 H72 B2 F48 Fe2 N10 O2
• Title of publication: Electronic Effects of Ligand Substitution on Spin Crossover in a Series of Diiminoquinonoid-Bridged Fe(II)2 Complexes.
• Authors of publication: Park, Jesse G.; Jeon, Ie-Rang; Harris, T. David
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 359 - 369
• a: 12.3247 ± 0.0006 Å
• b: 16.9752 ± 0.0006 Å
• c: 17.714 ± 0.0009 Å
• α: 86.386 ± 0.002°
• β: 75.656 ± 0.002°
• γ: 76.244 ± 0.001°
• Cell volume: 3487.5 ± 0.3 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225.01 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.2184
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No