Information card for entry 7056641

Structure parameters

• Formula: C48 H62 Ag3 F18 N10 O4 P3
• Calculated formula: C48 H62 Ag3 F18 N10 O4 P3
• SMILES: [Ag]([OH2])=C1N2c3c(N1CCCCN1C4=[Ag]=C5N(CCCCN6C(=[Ag][OH2])N(CCCN4c4c1cccc4)c1ccccc61)c1ccccc1N5CCC2)cccc3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(=O)N(C)C.CN(C=O)C
• Title of publication: Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands
• Authors of publication: Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 13442 - 13453
• a: 12.736 ± 0.005 Å
• b: 30.092 ± 0.012 Å
• c: 16.19 ± 0.007 Å
• α: 90°
• β: 98.396 ± 0.005°
• γ: 90°
• Cell volume: 6138 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.17
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.24
• Weighted residual factors for all reflections included in the refinement: 0.2904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No