Information card for entry 4516140

Structure parameters

• Formula: C17 H16 Au Cl N3 P
• Calculated formula: C17 H16 Au Cl N3 P
• SMILES: [Au](Cl)[P](c1ccccc1)(c1ccccc1)CNc1ncccn1
• 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: 19.4767 ± 0.0007 Å
• b: 8.5915 ± 0.0003 Å
• c: 20.9829 ± 0.0006 Å
• α: 90°
• β: 96.19 ± 0.003°
• γ: 90°
• Cell volume: 3490.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0333
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No