Information card for entry 7703057

Structure parameters

• Chemical name: N-Butylpyridinium catena-mu2-cyanotri-mu2-iododicopper(I)
• Formula: C19 H28 Cu2 I3 N3
• Calculated formula: C19 H28 Cu2 I3 N3
• Title of publication: Alkyl pyridinium iodocyanocuprate(i) chains (RPy)₂[Cu₂I₃(CN)]: insight into structural, electronic and spectroscopic properties.
• Authors of publication: Wells, Taylor C.; Streep, Michaela E.; Martucci, Abigail L.; Nicholas, Aaron D.; Pike, Robert D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1492 - 1500
• a: 14.8955 ± 0.0004 Å
• b: 8.8088 ± 0.0003 Å
• c: 20.4146 ± 0.0006 Å
• α: 90°
• β: 109.922 ± 0.001°
• γ: 90°
• Cell volume: 2518.33 ± 0.13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No