Information card for entry 7059640

Structure parameters

• Formula: C15 H15 Br5 Cu2 N3 P
• Calculated formula: C15 H15 Br5 Cu2 N3 P
• Title of publication: A copper(i) bromide organic‒inorganic zwitterionic coordination compound with a new type of core: structure, luminescence properties, and DFT calculations
• Authors of publication: Berezin, Alexey S.; Artem'ev, Alexander V.; Komarov, Vladislav Y.; Baranov, Andrey Y.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 23
• Pages of publication: 9858 - 9862
• a: 20.5473 ± 0.0009 Å
• b: 7.4108 ± 0.0003 Å
• c: 16.1324 ± 0.0008 Å
• α: 90°
• β: 117.615 ± 0.002°
• γ: 90°
• Cell volume: 2176.67 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No