Information card for entry 2020933

Structure parameters

• Chemical name: {2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine-κ^2^<i>P</i>,<i>N</i>}dichloridoiron(II)
• Formula: C19 H35 Cl2 Fe N P2
• Calculated formula: C19 H35 Cl2 Fe N P2
• SMILES: Cc1cccc2C([P](C(C)C)(C(C)C)[Fe](Cl)(Cl)[n]12)P(C(C)C)C(C)C
• Title of publication: Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine
• Authors of publication: Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 11
• Pages of publication: 917 - 922
• a: 8.2907 ± 0.0001 Å
• b: 10.7222 ± 0.0002 Å
• c: 13.6434 ± 0.0002 Å
• α: 87.0826 ± 0.0006°
• β: 80.8448 ± 0.0006°
• γ: 75.7315 ± 0.0006°
• Cell volume: 1160.35 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes