Information card for entry 4086238

Structure parameters

• Formula: C174 H132 Ag5 Br5 N12
• Calculated formula: C174 H132 Ag5 Br5 N12
• SMILES: n12c(n(cc1cc1ccccc1c2c1c(ccc2ccccc12)C)Cc1ccccc1)=[Ag]=c1n2c(cn1Cc1ccccc1)cc1ccccc1c2c1c(ccc2ccccc12)C.[Ag](=c1n2c(cn1Cc1ccccc1)cc1ccccc1c2c1c(ccc2ccccc12)C)=c1n2c(cn1Cc1ccccc1)cc1ccccc1c2c1c(ccc2ccccc12)C.[Ag]123(Br)[Br][Ag]2([Br]1)(Br)[Br]3.n12c(n(cc1cc1ccccc1c2c1c(ccc2ccccc12)C)Cc1ccccc1)=[Ag]=c1n2c(cn1Cc1ccccc1)cc1ccccc1c2c1c(ccc2ccccc12)C
• Title of publication: Synthesis and Characterization of Axially Chiral Imidazoisoquinolin-2-ylidene Silver and Gold Complexes
• Authors of publication: Grande-Carmona, Francisca; Iglesias-Sigüenza, Javier; Álvarez, Eleuterio; Díez, Elena; Fernández, Rosario; Lassaletta, José
• Journal of publication: Organometallics
• Year of publication: 2015
• Pages of publication: 150924155910003
• a: 25.462 ± 0.003 Å
• b: 35.443 ± 0.003 Å
• c: 21.8849 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19750 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No