Information card for entry 4342490

Structure parameters

• Formula: C88 H78 Cu3 I2 N P6 S3
• Calculated formula: C88 H78 Cu3 I2 N P6 S3
• Title of publication: Impact of Ligand Framework on the Crystal Structures and Luminescent Properties of Cu(I) and Ag(I) Clusters and a Coordination Polymer Derived from Thiolate/Iodide/dppm Ligands.
• Authors of publication: Rajput, Gunjan; Yadav, Manoj Kumar; Drew, Michael G. B.; Singh, Nanhai
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2572 - 2579
• a: 25.8354 ± 0.0011 Å
• b: 14.1322 ± 0.0004 Å
• c: 46.5904 ± 0.0017 Å
• α: 90°
• β: 108.452 ± 0.004°
• γ: 90°
• Cell volume: 16136.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1587
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No