Information card for entry 7056981

Structure parameters

• Formula: C44 H52 Au2 F12 N12 P2
• Calculated formula: C44 H52 Au2 F12 N12 P2
• SMILES: C12N3c4ccccc4N2CCNCCN2C(=[Au]=C4N5c6c(cccc6)N4CCNCCN4C(=[Au]=1)N(c1c4cccc1)CCNCC5)N(c1c2cccc1)CCNCC3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands
• Authors of publication: Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 4700
• a: 16.844 ± 0.0018 Å
• b: 18.928 ± 0.002 Å
• c: 11.487 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3662.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.487
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No