Information card for entry 7002430

Structure parameters

• Formula: C37 H18 Cl12 O6 P2
• Calculated formula: C37 H18 Cl12 O6 P2
• SMILES: c12c(c(c(c(c1O[P]13(O2)(Oc2c(c(c(c(c2O1)Cl)Cl)Cl)Cl)Oc1c(c(c(c(c1O3)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)C
• 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: 17.6833 ± 0.0009 Å
• b: 17.6833 ± 0.0009 Å
• c: 11.4829 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3109.6 ± 0.3 ų
• Cell temperature: 200 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No