Information card for entry 7712257

Structure parameters

• Formula: C6 H7 Cu I N S
• Calculated formula: C6 H7 Cu I 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: 8.4448 ± 0.0002 Å
• b: 10.111 ± 0.0002 Å
• c: 11.2974 ± 0.0003 Å
• α: 82.916 ± 0.002°
• β: 71.12 ± 0.002°
• γ: 67.334 ± 0.002°
• Cell volume: 842.24 ± 0.04 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: 0.021
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No