Information card for entry 4345078

Structure parameters

• Formula: C57 H75 B2 Fe
• Calculated formula: C57 H75 B2 Fe
• Title of publication: Planar-Chiral 1,1'-Diboryl Metallocenes: Diastereoselective Synthesis from Boryl Cyclopentadienides and Spin Density Analysis of a Diborylcobaltocene.
• Authors of publication: Lerayer, Emmanuel; Renaut, Patrice; Brandès, Stéphane; Cattey, Hélène; Fleurat-Lessard, Paul; Bouhadir, Ghenwa; Bourissou, Didier; Hierso, Jean-Cyrille
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 1966 - 1973
• a: 10.0641 ± 0.0002 Å
• b: 13.7226 ± 0.0003 Å
• c: 18.015 ± 0.0004 Å
• α: 88.893 ± 0.001°
• β: 87.091 ± 0.001°
• γ: 77.896 ± 0.001°
• Cell volume: 2429.43 ± 0.09 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No