Information card for entry 7234365

Structure parameters

• Chemical name: Bis[2,6-di(pyrazol-1-yl)-4-(thiomorpholin-1-yl)pyridine]iron(II) di-tetrafluoroborate monohydrate
• Formula: C30 H34 B2 F8 Fe N12 O S2
• Calculated formula: C30 H34 B2 F8 Fe N12 O S2
• Title of publication: Bead-like structures and self-assembled monolayers from 2,6-dipyrazolylpyridines and their iron(ii) complexes
• Authors of publication: Laurynas Pukenas; Florence Benn; Edmund Lovell; Amedeo Santoro; Laurence J. Kershaw Cook; Malcolm A. Halcrow; Stephen D. Evans
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 7890 - 7896
• a: 11.4182 ± 0.0005 Å
• b: 13.3351 ± 0.0007 Å
• c: 13.888 ± 0.0008 Å
• α: 85.289 ± 0.004°
• β: 68.183 ± 0.004°
• γ: 66.115 ± 0.004°
• Cell volume: 1789.21 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No