Information card for entry 4516104

Structure parameters

• Formula: C15 H18 Cu3 I6 N3
• Calculated formula: C15 H18 Cu3 I6 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: 8.804 ± 0.0004 Å
• b: 14.0866 ± 0.0007 Å
• c: 11.5559 ± 0.0006 Å
• α: 90°
• β: 111.296 ± 0.001°
• γ: 90°
• Cell volume: 1335.28 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No