Information card for entry 4341892

Structure parameters

• Formula: C128 H92 B2 Cl2 F48 Fe2 N10 O3
• Calculated formula: C118 H70 B2 Cl2 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: 12.3707 ± 0.0005 Å
• b: 17.2025 ± 0.0007 Å
• c: 17.97 ± 0.0008 Å
• α: 84.892 ± 0.002°
• β: 76.314 ± 0.001°
• γ: 77.33 ± 0.002°
• Cell volume: 3622.3 ± 0.3 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 224.99 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No