Information card for entry 4323929

Structure parameters

• Common name: [Fe((DMG)BPh2)2(PMEPh2)(PY)]
• Chemical name: mono(methyldiphenylphosphine)mono(pyridine)bis(dimethylglyoximato (diphenylborato))iron(II)
• Formula: C50 H50 B2 Fe N5 O4 P
• Calculated formula: C50 H50 B2 Fe N5 O4 P
• SMILES: [Fe]123([N]4O[B](O[N]3=C(C(=[N]2O[B](O[N]1=C(C=4C)C)(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1)([n]1ccccc1)[P](c1ccccc1)(c1ccccc1)C
• 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: 11.499 ± 0.005 Å
• b: 11.569 ± 0.005 Å
• c: 20.087 ± 0.008 Å
• α: 75.81°
• β: 87.99°
• γ: 62.25 ± 0.01°
• Cell volume: 2283 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1223
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections: 0.2252
• Weighted residual factors for significantly intense reflections: 0.1694
• Goodness-of-fit parameter for all reflections: 1.107
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No