Information card for entry 4102279

Structure parameters

• Formula: C27 H33 Br3 In O9 P
• Calculated formula: C27 H33 Br3 In O9 P
• SMILES: [In](Br)(Br)(Br)[P](c1c(OC)cc(OC)cc1OC)(c1c(OC)cc(OC)cc1OC)c1c(OC)cc(OC)cc1OC
• Title of publication: Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts
• Authors of publication: Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5479 - 5493
• a: 10.7486 ± 0.0006 Å
• b: 12.3701 ± 0.0007 Å
• c: 13.4953 ± 0.0008 Å
• α: 104.477 ± 0.0008°
• β: 104.014 ± 0.0007°
• γ: 101.582 ± 0.0008°
• Cell volume: 1619.14 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No