Information card for entry 2022688

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[(9,9-dimethyl-9<i>H</i>-xanthene-4,5-diyl)bis(diphenylphosphane)-κ^2^<i>P</i>,<i>P</i>'](pyridine-3-carbonitrile-κ<i>N</i>^3^)copper(I)] hexafluorophosphate dichloromethane trisolvate]
• Formula: C48 H42 Cl6 Cu F6 N2 O P3
• Calculated formula: C48 H42 Cl6 Cu F6 N2 O P3
• Title of publication: A new heteroleptic cuprous polymer constructed by a cyanopyridine ligand exhibiting a supramolecular framework structure and luminescence
• Authors of publication: Kong, Yu-Jie; Wang, Jian-Teng; Song, Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 11
• a: 15.0438 ± 0.0007 Å
• b: 13.42 ± 0.0005 Å
• c: 25.3937 ± 0.0009 Å
• α: 90°
• β: 100.933 ± 0.004°
• γ: 90°
• Cell volume: 5033.6 ± 0.4 ų
• Cell temperature: 174.1 K
• Ambient diffraction temperature: 174.1 K
• Number of distinct elements: 8
• 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: 0.0871
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes