Information card for entry 7206473

Structure parameters

• Formula: C12 H36 Cu6 I9 N3
• Calculated formula: C12 H36 Cu6 I9 N3
• 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: 8.0956 ± 0.0002 Å
• b: 9.4197 ± 0.0002 Å
• c: 24.9028 ± 0.0006 Å
• α: 100.218 ± 0.0019°
• β: 94.2642 ± 0.0018°
• γ: 94.0046 ± 0.0018°
• Cell volume: 1857.07 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for significantly intense reflections: 2.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.94
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No