Information card for entry 7002036

Structure parameters

• Common name: 12 in manuscript
• Formula: C20 H19 Ag B F4 N7
• Calculated formula: C20 H19 Ag B F4 N7
• SMILES: [Ag]1=C2N(c3cccc(n3)c3nc(ccc3)N3C=1N(C=C3)C)C=CN2C.N#CC.[B](F)(F)(F)[F-]
• Title of publication: Controlling the coordination modes of a new and highly flexible ligand bearing two N-heterocyclic carbene moieties at a bipyridine backbone
• Authors of publication: Deißler, Christine; Rominger, Frank; Kunz, Doris
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7152
• a: 12.7785 ± 0.0003 Å
• b: 25.2891 ± 0.0006 Å
• c: 6.9458 ± 0.0002 Å
• α: 90°
• β: 105.638 ± 0.001°
• γ: 90°
• Cell volume: 2161.5 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1204
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No