Information card for entry 4085808

Structure parameters

• Formula: C42 H44 Ag2 F12 N12 P2
• Calculated formula: C42 H44 Ag2 F12 N12 P2
• SMILES: [Ag]1=C2N(C=CN2c2ncccc2)CCCCCN2C(=[Ag]=C3N(C=CN3c3ncccc3)CCCCCN3C=1N(C=C3)c1ncccc1)N(C=C2)c1ncccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 13.3327 ± 0.0002 Å
• b: 24.2833 ± 0.0004 Å
• c: 14.452 ± 0.0003 Å
• α: 90°
• β: 104.262 ± 0.0008°
• γ: 90°
• Cell volume: 4534.81 ± 0.14 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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: 0.0332
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No