Information card for entry 7012356

Structure parameters

• Common name: Bis(2,6-bis(3-(2,4,6-trimethylphenyl)pyrazol-1- yl)pyrazine)iron(ii) ditetrafluoroborate pentakis-nitromethane solvate
• Chemical name: Bis[2,6-bis(3-{2,4,6-trimethylphenyl}pyrazol-1-yl)pyrazine]iron(II) ditetrafluoroborate pentakis-nitromethane solvate
• Formula: C61 H71 B2 F8 Fe N17 O10
• Calculated formula: C61 H71 B1.98 F7.92 Fe N17 O10
• Title of publication: The spin-states and spin-crossover behaviour of iron(II) complexes of 2,6-dipyrazol-1-ylpyrazine derivatives
• Authors of publication: Jérôme Elhaïk; Victoria A. Money; Simon A. Barrett; Colin A. Kilner; Ivana Radosavljevic Evans; Malcolm A. Halcrow
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 2053 - 2060
• a: 15.1838 ± 0.0001 Å
• b: 15.1838 ± 0.0001 Å
• c: 24.9779 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4987.09 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No