Information card for entry 7203716

Structure parameters

• Common name: Bis(2,6-bis(3-(hydroxymethyl)pyrazol-1-yl)pyridine)iron(ii) diperchlorate, beta polymorph
• Chemical name: Bis[2,6-bis{3-(hydroxymethyl)pyrazol-1-yl}pyridine]iron(II) diperchlorate, beta polymorph
• Formula: C26 H26 Cl2 Fe N10 O12
• Calculated formula: C26 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: 20.1578 ± 0.0002 Å
• b: 10.0249 ± 0.0001 Å
• c: 16.2228 ± 0.0001 Å
• α: 90°
• β: 108.316 ± 0.0008°
• γ: 90°
• Cell volume: 3112.22 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No