Information card for entry 4516136

Structure parameters

• Formula: C17 H16 Br Cu N3 P
• Calculated formula: C17 H16 Br Cu N3 P
• Title of publication: Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.
• Authors of publication: Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 16601 - 16614
• a: 13.4532 ± 0.0006 Å
• b: 7.4445 ± 0.0002 Å
• c: 17.5935 ± 0.0008 Å
• α: 90°
• β: 106.285 ± 0.004°
• γ: 90°
• Cell volume: 1691.34 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No