Information card for entry 7002428

Structure parameters

• Formula: C38.5 H37 Cl3 F6 O6 P2 S2
• Calculated formula: C38.5 H37 Cl3 F6 O6 P2 S2
• Title of publication: Vicinal diphosphoniums: electrostatic repulsion under covalent constraint
• Authors of publication: Abdalilah, Mohammed; Zurawinski, Remigiuz; Canac, Yves; Laleu, Benoît; Lacour, Jérôme; Lepetit, Christine; Magro, Germinal; Bernardinelli, Gérald; Donnadieu, Bruno; Duhayon, Carine; Mikolajczyk, Marian; Chauvin, Remi
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8493 - 8508
• a: 35.0471 ± 0.0011 Å
• b: 14.8261 ± 0.0005 Å
• c: 17.1363 ± 0.0006 Å
• α: 90°
• β: 103.455 ± 0.003°
• γ: 90°
• Cell volume: 8659.8 ± 0.5 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1646
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No