Information card for entry 7700435

Structure parameters

• Formula: C60 H65 B Fe P2
• Calculated formula: C60 H65 B Fe P2
• Title of publication: A sterically congested 1,2-diphosphino-1'-boryl-ferrocene: synthesis, characterization and coordination to platinum.
• Authors of publication: Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Hélène; Fleurat-Lessard, Paul; Boudjelel, Maxime; Massou, Stéphane; Bouhadir, Ghenwa; Bourissou, Didier; Hierso, Jean-Cyrille
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11191 - 11195
• a: 14.0236 ± 0.0005 Å
• b: 19.7055 ± 0.0005 Å
• c: 18.3538 ± 0.0006 Å
• α: 90°
• β: 99.857 ± 0.001°
• γ: 90°
• Cell volume: 4997.1 ± 0.3 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 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: 0.0617
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No