Information card for entry 7703696

Structure parameters

• Formula: C46 H44 B O3 P2 Rh
• Calculated formula: C46 H44 B O3 P2 Rh
• SMILES: [Rh]12345([P](c6ccccc6)(c6ccccc6)C([P]1(c1ccccc1)c1ccccc1)(OB1OC(C)(C)C(O1)(C)C)c1ccccc1)[c]16cccc[c]21[cH]4[cH]5[cH]36
• Title of publication: The phosphinoboration of acyl chlorides.
• Authors of publication: Murphy, Maia C.; Trofimova, Alina; LaFortune, James H. W.; Vogels, Christopher M.; Geier, Stephen J.; Binder, Justin F.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Stephen A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 5092 - 5099
• a: 10.3384 ± 0.0005 Å
• b: 17.0645 ± 0.0008 Å
• c: 11.1586 ± 0.0006 Å
• α: 90°
• β: 91.508 ± 0.002°
• γ: 90°
• Cell volume: 1967.91 ± 0.17 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No