Information card for entry 4340569

Structure parameters

• Formula: C14 H18 Cl Fe P
• Calculated formula: C14 H18 Cl Fe P
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)P(Cl)C(C)(C)C)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Cross-dehydrocoupling: A Novel Synthetic Route to P-B-P-B Chains.
• Authors of publication: Pandey, Souvik; Lönnecke, Peter; Hey-Hawkins, Evamarie
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8242 - 8249
• a: 10.4546 ± 0.0002 Å
• b: 7.7335 ± 0.0001 Å
• c: 17.1879 ± 0.0003 Å
• α: 90°
• β: 95.591 ± 0.001°
• γ: 90°
• Cell volume: 1383.04 ± 0.04 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No