Information card for entry 7007189

Structure parameters

• Common name: Bis(2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine)iron(ii) diperchlorate (compound 5)
• Chemical name: Bis[2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine]iron(II) diperchlorate (compound 5)
• Formula: C24 H22 Cl2 Fe N10 O10
• Calculated formula: C24 H22 Cl2 Fe N10 O10
• Title of publication: Photomagnetic properties of iron(II) spin crossover complexes of 2,6-dipyrazolylpyridine and 2,6-dipyrazolylpyrazine ligands.
• Authors of publication: Carbonera, Chiara; Sánchez Costa, José; Money, Victoria A.; Elhaïk, Jérôme; Howard, Judith A. K.; Halcrow, Malcolm A.; Létard, Jean-François
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 25
• Pages of publication: 3058 - 3066
• a: 12.269 ± 0.003 Å
• b: 12.216 ± 0.002 Å
• c: 20.572 ± 0.004 Å
• α: 90°
• β: 99.61 ± 0.03°
• γ: 90°
• Cell volume: 3040 ± 1.1 ų
• Cell temperature: 340 ± 2 K
• Ambient diffraction temperature: 340 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No