Information card for entry 7707685

Structure parameters

• Formula: C6 H8 Cu I N2 S
• Calculated formula: C6 H8 Cu I N2 S
• Title of publication: Coordination-induced emission enhancement in copper(I) iodide coordination polymers supported by 2-(alkylsulfanyl)pyrimidines.
• Authors of publication: Vinogradova, Katerina A.; Shekhovtsov, Nikita A.; Berezin, Alexey S.; Sukhikh, Taisiya S.; Rogovoy, Maxim I.; Artem'ev, Alexander V.; Bushuev, Mark B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 26
• Pages of publication: 9317 - 9330
• a: 4.1293 ± 0.0004 Å
• b: 15.0107 ± 0.0013 Å
• c: 14.8554 ± 0.0013 Å
• α: 90°
• β: 97.948 ± 0.003°
• γ: 90°
• Cell volume: 911.95 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0196
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No