Information card for entry 7056983

Structure parameters

• Formula: C54 H68 F24 N16 P4
• Calculated formula: C54 H68 F24 N16 P4
• SMILES: c1n2c3ccccc3[n+]1CCCn1c[n+](CCNCCn3c[n+](c4c3cccc4)CCCn3c[n+](c4c3cccc4)CCNCC2)c2c1cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC
• 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: 12.3 ± 0.003 Å
• b: 12.549 ± 0.003 Å
• c: 12.557 ± 0.003 Å
• α: 101.682 ± 0.004°
• β: 105.479 ± 0.004°
• γ: 107.42 ± 0.004°
• Cell volume: 1696.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No