Information card for entry 7712258

Structure parameters

• Formula: C6 H7 Cu2 I2 N S
• Calculated formula: C6 H7 Cu2 I2 N S
• Title of publication: A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation
• Authors of publication: Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 7.6287 ± 0.0006 Å
• b: 7.7189 ± 0.0003 Å
• c: 9.7933 ± 0.0007 Å
• α: 102.595 ± 0.005°
• β: 94.694 ± 0.006°
• γ: 104.937 ± 0.005°
• Cell volume: 537.93 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0259
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No