Information card for entry 7206477

Structure parameters

• Formula: C144 H312 Cu17 I23 N6
• Calculated formula: C80 Cu17 I23 N6
• Title of publication: Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems
• Authors of publication: Jalilian, Ehsan; Lidin, Sven
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5730
• a: 19.5502 ± 0.0003 Å
• b: 18.6851 ± 0.0003 Å
• c: 28.3015 ± 0.0006 Å
• α: 90°
• β: 91.4321 ± 0.0015°
• γ: 90°
• Cell volume: 10335.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2161
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2155
• Goodness-of-fit parameter for significantly intense reflections: 2.88
• Goodness-of-fit parameter for all reflections included in the refinement: 1.81
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No