Information card for entry 4342123

Structure parameters

• Chemical name: Bis[2,6-di(indazol-2-yl)pyridine]iron(II) diperchlorate chloroform solvate
• Formula: C39 H27 Cl5 Fe N10 O8
• Calculated formula: C39 H27 Cl5 Fe N10 O8
• Title of publication: Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.
• Authors of publication: Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 682 - 693
• a: 12.7312 ± 0.0007 Å
• b: 13.2422 ± 0.0008 Å
• c: 13.5769 ± 0.0007 Å
• α: 87.61 ± 0.005°
• β: 66.525 ± 0.005°
• γ: 78.669 ± 0.005°
• Cell volume: 2056.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2151
• Weighted residual factors for all reflections included in the refinement: 0.2529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No