Information card for entry 4102278

Structure parameters

• Formula: C36 H30 Br3 In P2
• Calculated formula: C36 H30 Br3 In P2
• SMILES: [In](Br)(Br)(Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.831 ± 0.0007 Å
• b: 18.4922 ± 0.0011 Å
• c: 19.0997 ± 0.0012 Å
• α: 110.516 ± 0.0008°
• β: 105.019 ± 0.0009°
• γ: 104.38 ± 0.0009°
• Cell volume: 3504.2 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No