Information card for entry 7007194

Structure parameters

• Common name: Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine)iron(ii) ditetrafluoroborate (compound 7)
• Chemical name: Bis[2,6-bis(4-methylpyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate (compound 7)
• Formula: C26 H26.4 B2 F8 Fe N10 O0.2
• Calculated formula: C26 H26 B2 F8 Fe N10 O0.2
• 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: 30.5415 ± 0.0009 Å
• b: 16.5009 ± 0.0006 Å
• c: 13.407 ± 0.0005 Å
• α: 90°
• β: 115.712 ± 0.0015°
• γ: 90°
• Cell volume: 6087.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1262
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No