Information card for entry 2007893

Structure parameters

• Chemical name: Polymeric (triphenyltrithiophosphite)chlorocopper(I)
• Formula: C18 H15 Cl Cu P S3
• Calculated formula: C18 H15 Cl Cu P S3
• SMILES: [Cu]1([P](Sc2ccccc2)(Sc2ccccc2)Sc2ccccc2)(Cl)[Cl][Cu][P](Sc2ccccc2)(Sc2ccccc2)[S]1c1ccccc1
• Title of publication: Polymeric Chloro(triphenyl trithiophosphite)copper(I)
• Authors of publication: Jones, Peter G.; Fischer, Axel K.; Frolova, Lilya; Schmutzler, Reinhard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1842 - 1844
• a: 12.519 ± 0.002 Å
• b: 12.519 ± 0.002 Å
• c: 10.257 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1392.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No