Information card for entry 4323927

Structure parameters

• Common name: [Fe((DMG)BPh2)2(PY)(NH3)].CH2Cl2
• Chemical name: mono(ammine)mono(pyridine)bis(dimethylglyoximato(diphenylborato))iron(II)
• Formula: C38 H43 B2 Cl2 Fe N6 O4
• Calculated formula: C38.313 H41.058 B2 Cl2 Fe N5.687 O4.313
• 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: 15.002 ± 0.003 Å
• b: 16.034 ± 0.003 Å
• c: 16.251 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3909 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections: 0.1629
• Weighted residual factors for significantly intense reflections: 0.1409
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for significantly intense reflections: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No