Information card for entry 4516105

Structure parameters

• Formula: C18 H27 Cu6 I8 N3
• Calculated formula: C18 H27 Cu6 I8 N3
• Title of publication: Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.
• Authors of publication: Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 15281 - 15292
• a: 13.9901 ± 0.001 Å
• b: 10.819 ± 0.0008 Å
• c: 24.0532 ± 0.0017 Å
• α: 90°
• β: 99.243 ± 0.001°
• γ: 90°
• Cell volume: 3593.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No