Information card for entry 4102276

Structure parameters

• Formula: C21 H21 Br3 In O3 P
• Calculated formula: C21 H21 Br3 In O3 P
• SMILES: [In](Br)(Br)(Br)[P](c1c(OC)cccc1)(c1c(OC)cccc1)c1c(OC)cccc1
• 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: 11.851 ± 0.003 Å
• b: 11.134 ± 0.003 Å
• c: 18.831 ± 0.004 Å
• α: 90°
• β: 99.882 ± 0.004°
• γ: 90°
• Cell volume: 2447.9 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No