Information card for entry 4344976

Structure parameters

• Formula: C14 H15 Cu I N O S
• Calculated formula: C14 H15 Cu I N O S
• Title of publication: Non-Phase-Transition Luminescence Mechanochromism of a Copper(I) Coordination Polymer.
• Authors of publication: Kwon, Eunjin; Kim, Jineun; Lee, Kang Yeol; Kim, Tae Ho
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• a: 14.9694 ± 0.0008 Å
• b: 17.0368 ± 0.0008 Å
• c: 11.7309 ± 0.0006 Å
• α: 90°
• β: 92.621 ± 0.002°
• γ: 90°
• Cell volume: 2988.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No