Information card for entry 7006068

Structure parameters

• Common name: Fe(picpzpz)()(BF!4$)!2$.MeOH
• Formula: C32 H42.5 B2 F8 Fe N13.5
• Calculated formula: C32 H42.5 B2 F8 Fe N13.5
• Title of publication: Structure, magnetism and photomagnetism of mixed-ligand tris(pyrazolyl)methane iron(ii) spin crossover compounds.
• Authors of publication: Moubaraki, Boujemaa; Leita, Ben A.; Halder, Gregory J.; Batten, Stuart R.; Jensen, Paul; Smith, Jonathan P.; Cashion, John D.; Kepert, Cameron J.; Létard, Jean-François; Murray, Keith S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 39
• Pages of publication: 4413 - 4426
• a: 11.931 ± 0.01 Å
• b: 12.37 ± 0.011 Å
• c: 15.07 ± 0.013 Å
• α: 88.648 ± 0.013°
• β: 78.824 ± 0.013°
• γ: 64.001 ± 0.012°
• Cell volume: 1956 ± 3 ų
• Cell temperature: 25 ± 2 K
• Ambient diffraction temperature: 25 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No