Information card for entry 4313899

Structure parameters

• Common name: 1.1.5CH2Cl2
• Formula: C96.5 H81 Cl3 Cu4 P6 S4
• Calculated formula: C96.5 H81 Cl3 Cu4 P6 S4
• Title of publication: Novel Luminescent Tetranuclear and Pentanuclear Copper(I)-Dithiolates
• Authors of publication: Huan Xu; John H. K. Yip
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4492 - 4494
• a: 23.4692 ± 0.0008 Å
• b: 22.9887 ± 0.0008 Å
• c: 32.0613 ± 0.001 Å
• α: 90°
• β: 91.407 ± 0.001°
• γ: 90°
• Cell volume: 17292.7 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.1551
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No