Information card for entry 4501649

Structure parameters

• Formula: C12 H25 Cu6 I6 N4 O0.5
• Calculated formula: C12 H24 Cu6 I6 N4 O0.5
• 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: 13.9077 ± 0.0001 Å
• b: 13.9077 ± 0.0001 Å
• c: 14.1742 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2741.63 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No