Information card for entry 7017797

Structure parameters

• Formula: C72 H60 Cu4 I4 P4
• Calculated formula: C72 H60 Cu4 I4 P4
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Cu]12345[I]6[Cu]7893([I]3[Cu]%1048([I]17)([I]2[Cu]5693%10[P](c1ccccc1)(c1ccccc1)c1ccccc1)[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: 13.4237 ± 0.001 Å
• b: 26.406 ± 0.003 Å
• c: 19.4266 ± 0.0011 Å
• α: 90°
• β: 99.531 ± 0.007°
• γ: 90°
• Cell volume: 6791 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No