Information card for entry 4501648

Structure parameters

• Formula: C33 H64 Cu14 I14 N12
• Calculated formula: C33 H64 Cu14 I14 N12
• Title of publication: Three-Dimensional Photoluminescent Frameworks Constructed from Size-Tunable CuI Clusters
• Authors of publication: Zhang, Ying; Wu, Tao; Liu, Rui; Dou, Tao; Bu, Xianhui; Feng, Pingyun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 2047
• a: 14.8153 ± 0.0012 Å
• b: 17.727 ± 0.0016 Å
• c: 26.627 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6993.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No