Information card for entry 7203718

Structure parameters

• Common name: Bis(2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine)iron(ii) diperchlorate acetonitrile solvate
• Chemical name: Bis[2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetonitrile solvate
• Formula: C27.5 H28.25 Cl2 Fe N10.75 O12
• Calculated formula: C28.25 H26 Cl2 Fe N10 O12
• Title of publication: An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling
• Authors of publication: Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 23
• Pages of publication: 151
• a: 22.4565 ± 0.0002 Å
• b: 11.604 ± 0.0001 Å
• c: 27.9163 ± 0.0003 Å
• α: 90°
• β: 107.381 ± 0.0004°
• γ: 90°
• Cell volume: 6942.41 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2487
• Weighted residual factors for all reflections included in the refinement: 0.2691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No