Information card for entry 7017801

Structure parameters

• Formula: C54 H45 Cu I P3
• Calculated formula: C54 H45 Cu I P3
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Cu](I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Polymorph and isomer conversion of complexes based on CuI and PPh3 easily observed via luminescence.
• Authors of publication: Maini, Lucia; Braga, Dario; Mazzeo, Paolo P.; Ventura, Barbara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 531 - 539
• a: 13.2375 ± 0.0005 Å
• b: 18.5976 ± 0.0007 Å
• c: 18.9297 ± 0.0007 Å
• α: 90°
• β: 93.953 ± 0.004°
• γ: 90°
• Cell volume: 4649.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.097
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 0.763
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No