Information card for entry 7059463

Structure parameters

• Formula: C22 H25.5 Cu2 I2 N3.5 P
• Calculated formula: C22 H25.5 Cu2 I2 N3.5 P
• Title of publication: Copper(i) halide polymers derived from tris[2-(pyridin-2-yl)ethyl]phosphine: halogen-tunable colorful luminescence spanning from deep blue to green
• Authors of publication: Artem’ev, Alexander V.; Baranov, Andrey Yu.; Rakhmanova, Mariana I.; Malysheva, Svetlana F.; Samsonenko, Denis G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 6916 - 6922
• a: 9.4902 ± 0.0003 Å
• b: 12.2629 ± 0.0005 Å
• c: 12.5114 ± 0.0005 Å
• α: 113.97 ± 0.004°
• β: 102.843 ± 0.003°
• γ: 97.774 ± 0.003°
• Cell volume: 1254.92 ± 0.1 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: 0.0327
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No