Information card for entry 2205075

Structure parameters

• Chemical name: Bis[di-2-pyridyl(hydroxy)methanolato-κ^3^O,N,N')]iron(III) tetrafluoroborate trihydrate
• Formula: C22 H24 B F4 Fe N4 O7
• Calculated formula: C22 H24 B F4 Fe N4 O7
• Title of publication: Bis[di-2-pyridyl(hydroxy)methanolato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>']iron(III) tetrafluoroborate trihydrate
• Authors of publication: Onggo, Djulia; Mimin, Aminah; Yamin, Bohari M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m387 - m388
• a: 8.9669 ± 0.0006 Å
• b: 9.0527 ± 0.0006 Å
• c: 16.295 ± 0.001 Å
• α: 86.608 ± 0.001°
• β: 78.84 ± 0.001°
• γ: 86.593 ± 0.001°
• Cell volume: 1293.9 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes