Information card for entry 7021341

Structure parameters

• Formula: C44 H51 Cu F10 N6 O7 S2
• Calculated formula: C44 H50 Cu F10 N6 O7 S2
• SMILES: O.C1C[N]2(Cc3cc(cc(c3)F)F)CC[N]3(Cc4ccc(cc4)C)CC[N]4(CC[N]1(Cc1ccc(cc1)C)[Cu]234[N]#CC)Cc1cc(cc(c1)F)F.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(#N)C
• 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: 11.7735 ± 0.0017 Å
• b: 13.944 ± 0.002 Å
• c: 16.541 ± 0.002 Å
• α: 108.029 ± 0.003°
• β: 106.344 ± 0.003°
• γ: 102.841 ± 0.003°
• Cell volume: 2331.1 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No