Information card for entry 7056640

Structure parameters

• Formula: C46 H54 Ag2 F12 N10 O2 P2
• Calculated formula: C46 H54 Ag2 F12 N10 O2 P2
• SMILES: [Ag]12[Ag]3=C4N5c6ccccc6N4CCCN4C=1N(c1c4cccc1)CCCN1C=3N(c3c1cccc3)CCCN1C=2N(c2c1cccc2)CCC5.C(=O)N(C)C.C(=O)N(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 13.6857 ± 0.0012 Å
• b: 19.1641 ± 0.0016 Å
• c: 20.631 ± 0.0018 Å
• α: 90°
• β: 105.861 ± 0.002°
• γ: 90°
• Cell volume: 5205 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No