Information card for entry 4340577

Structure parameters

• Formula: C28 H45.91 B2 Cl0.09 Fe P2
• Calculated formula: C28 H45.907 B2 Cl0.093 Fe P2
• 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: 14.5332 ± 0.0003 Å
• b: 10.9678 ± 0.0002 Å
• c: 19.1413 ± 0.0003 Å
• α: 90°
• β: 110.332 ± 0.002°
• γ: 90°
• Cell volume: 2860.97 ± 0.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No