Information card for entry 4337371

Structure parameters

• Formula: C57 H42 Au3 Cl3 N3 P3
• Calculated formula: C57 H42 Au3 Cl3 N3 P3
• SMILES: [Au](Cl)[P](c1ccc(c2nc(nc(n2)c2ccc([P]([Au]Cl)(c3ccccc3)c3ccccc3)cc2)c2ccc([P]([Au]Cl)(c3ccccc3)c3ccccc3)cc2)cc1)(c1ccccc1)c1ccccc1
• Title of publication: Novel Trisphosphine Ligand Containing 1,3,5-Triazine Core, [2,4,6-C3N3{C6H4PPh2-p}3]: Synthesis and Transition Metal Chemistry.
• Authors of publication: Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1370 - 1381
• a: 11.3827 ± 0.0008 Å
• b: 14.314 ± 0.001 Å
• c: 19.9079 ± 0.0014 Å
• α: 106.484 ± 0.001°
• β: 104.102 ± 0.001°
• γ: 90.936 ± 0.001°
• Cell volume: 3003.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No