Information card for entry 4085806

Structure parameters

• Formula: C42 H42 Ag2 F12 N14 P2
• Calculated formula: C42 H42 Ag2 F12 N14 P2
• SMILES: [Ag](=C1N(CCCN2C(=[Ag]3)N(C=C2)c2ncccc2)C=CN1c1ncccc1)=C1N(C=CN1c1ncccc1)CCCN1C=3N(C=C1)c1ncccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: From Simple Ligands to Complex Structures: Structural Diversity of Silver(I) Complexes Bearing Tetradentate (alkylenebimpy) NHC Ligands
• Authors of publication: Wagner, Thomas; Pöthig, Alexander; Augenstein, Hannah M. S.; Schmidt, Tobias D.; Kaposi, Marlene; Herdtweck, Eberhard; Brütting, Wolfgang; Herrmann, Wolfgang A.; Kühn, Fritz E.
• Journal of publication: Organometallics
• Year of publication: 2015
• Pages of publication: 150410094812000
• a: 15.0415 ± 0.0007 Å
• b: 26.4269 ± 0.0012 Å
• c: 23.8352 ± 0.0012 Å
• α: 90°
• β: 97.795 ± 0.002°
• γ: 90°
• Cell volume: 9386.9 ± 0.8 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0272
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No