Information card for entry 4323931

Structure parameters

• Common name: [Fe((DMG)BF2)2(4-t-BuPY)2].2CH2Cl2
• Chemical name: bis(4-tertbutylpyridine)bis(dimethylglyoximato(difluoroborato))iron(II)
• Formula: C28 H42 B2 Cl4 F4 Fe N6 O4
• Calculated formula: C28 H42 B2 Cl4 F4 Fe N6 O4
• Title of publication: Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces
• Authors of publication: Isak Vernik; Dennis V. Stynes
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 6210 - 6220
• a: 12.839 ± 0.001 Å
• b: 12.843 ± 0.002 Å
• c: 23.545 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3882.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections: 0.1994
• Weighted residual factors for significantly intense reflections: 0.153
• Goodness-of-fit parameter for all reflections: 0.98
• Goodness-of-fit parameter for significantly intense reflections: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No