Information card for entry 4309983

Structure parameters

• Common name: [Fe(SbF6)(u-Cl)(N2O2)]2
• Formula: C24 H48 Cl2 F12 Fe2 N4 O4 Sb2
• Calculated formula: C24 H48 Cl2 F12 Fe2 N4 O4 Sb2
• SMILES: C1(C(C)=[N]([Fe]23([N]=1CCC[O]2C)[Cl][Fe]12([N](=C(C(C)=[N]1CCC[O]2C)C)CCCOC)[Cl]3)CCCOC)C.[F-][Sb](F)(F)(F)(F)F.[F-][Sb](F)(F)(F)(F)F
• Title of publication: High-Spin Diimine Complexes of Iron(II) Reject Binding of Carbon Monoxide: Theoretical Analysis of Thermodynamic Factors Inhibiting or Favoring Spin-Crossover
• Authors of publication: Ned J. Hardman; Xinggao Fang; Brian L. Scott; Robert J. Wright; Richard L. Martin; Gregory J. Kubas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8306 - 8316
• a: 10.243 ± 0.003 Å
• b: 12.995 ± 0.004 Å
• c: 14.809 ± 0.005 Å
• α: 90°
• β: 97.15 ± 0.007°
• γ: 90°
• Cell volume: 1955.9 ± 1.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No