Information card for entry 2230296

Structure parameters

• Chemical name: Chlorido(2-iminomethyl-3-fluorophenyl- κ^2^<i>C</i>^1^,<i>N</i>)tris(trimethylphosphane-κ<i>P</i>)iron
• Formula: C16 H32 Cl F Fe N P3
• Calculated formula: C16 H32 Cl F Fe N P3
• SMILES: [Fe]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)(c2c(c(ccc2)F)C=[NH]1)Cl
• Title of publication: Chlorido(2-iminomethyl-3-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>)tris(trimethylphosphane-κ<i>P</i>)iron
• Authors of publication: Xu, Xiaofeng; Li, Xiaoyan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m679
• a: 8.9879 ± 0.0006 Å
• b: 19.4457 ± 0.0013 Å
• c: 13.5438 ± 0.0007 Å
• α: 90°
• β: 114.937 ± 0.003°
• γ: 90°
• Cell volume: 2146.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes