Information card for entry 7021343

Structure parameters

• Formula: C46 H47 Ag B F8 N5
• Calculated formula: C46 H47 Ag B F8 N5
• SMILES: CC#N.[Ag]1234[N]5(CC[N]1(Cc1cccc6c1cccc6)CC[N]2(Cc1cc(F)cc(F)c1)CC[N]3(Cc1cccc2c1[CH]4=CC=C2)CC5)Cc1cc(F)cc(F)c1.[B](F)(F)(F)[F-]
• Title of publication: Argentivorous molecules with two kinds of aromatic side-arms: intramolecular competition between side-arms.
• Authors of publication: Habata, Yoichi; Oyama, Yosuke; Ikeda, Mari; Kuwahara, Shunsuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8212 - 8217
• a: 10.0718 ± 0.0009 Å
• b: 30.925 ± 0.003 Å
• c: 16.7058 ± 0.0011 Å
• α: 90°
• β: 126.958 ± 0.004°
• γ: 90°
• Cell volume: 4157.9 ± 0.7 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 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: 0.0448
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No