Information card for entry 7017800

Structure parameters

• Formula: C55 H47 Cl2 Cu2 I2 P3
• Calculated formula: C55 H47 Cl2 Cu2 I2 P3
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Cu]1([I][Cu]([I]1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 15.7252 ± 0.0006 Å
• b: 19.5305 ± 0.0007 Å
• c: 17.641 ± 0.0008 Å
• α: 90°
• β: 110.473 ± 0.005°
• γ: 90°
• Cell volume: 5075.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1644
• Residual factor for significantly intense reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.3235
• Weighted residual factors for all reflections included in the refinement: 0.3689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No