Information card for entry 4516109

Structure parameters

• Formula: C20 H29 Br2 Cu5 I7 N3
• Calculated formula: C20 H29 Br2 Cu5 I7 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: 28.346 ± 0.003 Å
• b: 11.4404 ± 0.0012 Å
• c: 24.058 ± 0.002 Å
• α: 90°
• β: 106.029 ± 0.002°
• γ: 90°
• Cell volume: 7498.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No