Information card for entry 7707683

Structure parameters

• Formula: C5 H6 Cu2 I2 N2 S
• Calculated formula: C5 H6 Cu2 I2 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: 7.641 ± 0.0004 Å
• b: 8.5752 ± 0.0004 Å
• c: 9.4222 ± 0.0005 Å
• α: 67.325 ± 0.002°
• β: 67.177 ± 0.002°
• γ: 81.785 ± 0.002°
• Cell volume: 525.04 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No