Information card for entry 7703507

Structure parameters

• Formula: C46 H55 Ag F6 N5 P
• Calculated formula: C46 H55 Ag F6 N5 P
• SMILES: [Ag]123([N]4(CC[N]1(CC[N]2(CC[N]3(CC4)C/C=C/c1ccccc1)C/C=C/c1ccccc1)C/C=C/c1ccccc1)C/C=C/c1ccccc1)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.
• Authors of publication: Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3112 - 3119
• a: 9.8867 ± 0.0006 Å
• b: 43.59 ± 0.002 Å
• c: 10.084 ± 0.0006 Å
• α: 90°
• β: 91.9702 ± 0.0012°
• γ: 90°
• Cell volume: 4343.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No