Information card for entry 4340570

Structure parameters

• Formula: C14 H19 Fe P
• Calculated formula: C14 H19 Fe P
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)PC(C)(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 5.8656 ± 0.0003 Å
• b: 9.9311 ± 0.0005 Å
• c: 22.5948 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1316.19 ± 0.12 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No