Information card for entry 2104302

Structure parameters

• Common name: Iodotris(tri-p-tolylphosphine)silver(I)
• Formula: C63 H63 Ag I P3
• Calculated formula: C63 H63 Ag I P3
• SMILES: Cc1ccc(cc1)[P](c1ccc(cc1)C)(c1ccc(cc1)C)[Ag]([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(C)cc1)I
• Title of publication: Polymorphism in iodotris(tri-<i>p</i>-tolylphosphine)silver(I)
• Authors of publication: Venter, Gertruida J. S.; Roodt, Andreas; Meijboom, Reinout
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: 182 - 188
• a: 22.745 ± 0.003 Å
• b: 11.01 ± 0.0012 Å
• c: 44.797 ± 0.005 Å
• α: 90°
• β: 103.007 ± 0.005°
• γ: 90°
• Cell volume: 10930 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No