Information card for entry 4102284

Structure parameters

• Formula: C21 H21 I3 In O3 P
• Calculated formula: C21 H21 I3 In O3 P
• SMILES: I[In](I)(I)[P](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
• 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: 13.6759 ± 0.0017 Å
• b: 23.23 ± 0.003 Å
• c: 8.6375 ± 0.0011 Å
• α: 90°
• β: 101.575 ± 0.0016°
• γ: 90°
• Cell volume: 2688.3 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No