Information card for entry 7045619

Structure parameters

• Formula: C68 H64 Ag2 B2 Cl8 F8 N12 O8
• Calculated formula: C68 H64 Ag2 B2 Cl8 F8 N12 O8
• SMILES: [B](F)(F)(F)[F-].c1(ccc(/C=C/C(=O)OC)cc1)N1C2N(Cc3ccc(cc3)CN3C=NN(C3=[Ag]=C3N(c4ccc(/C=C/C(=O)OC)cc4)N=CN3Cc3ccc(cc3)CN3C=NN(C3=[Ag]=2)c2ccc(cc2)/C=C/C(=O)OC)c2ccc(cc2)/C=C/C(=O)OC)C=N1.C(Cl)Cl.ClCCl.[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: A macrocyclic silver polycarbene complex based on 1,2,4-triazole units: synthesis and postsynthetic modification.
• Authors of publication: Zhang, Le; Han, Ying-Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 4267 - 4272
• a: 9.0041 ± 0.0014 Å
• b: 10.5386 ± 0.0016 Å
• c: 20.971 ± 0.003 Å
• α: 94.863 ± 0.002°
• β: 93.285 ± 0.002°
• γ: 106.354 ± 0.002°
• Cell volume: 1895.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No