Information card for entry 7206474

Structure parameters

• Formula: C12 H28 Cu3 I4 N
• Calculated formula: C12 H28 Cu3 I4 N
• 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: 17.7014 ± 0.0004 Å
• b: 11.4494 ± 0.0003 Å
• c: 10.9541 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2220.07 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No