Information card for entry 4323936

Structure parameters

• Common name: [Fe((DMG)BPh2)2(PIP)2].2CH2Cl2
• Chemical name: bis(piperidine)bis(dimethylglyoximato(diphenylborato))iron(II)
• Formula: C44 H58 B2 Cl4 Fe N6 O4
• Calculated formula: C44 H58 B2 Cl4 Fe N6 O4
• SMILES: [B]1(O[N]2[Fe]34([N](=C(C(C)=[N]3O1)C)O[B](O[N]4=C(C=2C)C)(c1ccccc1)c1ccccc1)([NH]1CCCCC1)[NH]1CCCCC1)(c1ccccc1)c1ccccc1.ClCCl.C(Cl)Cl
• 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: 10.318 ± 0.006 Å
• b: 10.674 ± 0.012 Å
• c: 11.57 ± 0.011 Å
• α: 88.76 ± 0.1°
• β: 70.31 ± 0.06°
• γ: 89.66 ± 0.09°
• Cell volume: 1199 ± 2 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: 0.2134
• Residual factor for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections: 0.4461
• Weighted residual factors for significantly intense reflections: 0.3089
• Goodness-of-fit parameter for all reflections: 0.995
• Goodness-of-fit parameter for significantly intense reflections: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No