Information card for entry 7019083

Structure parameters

• Formula: C104 H78 Ag6 N8 O14
• Calculated formula: C104 H78 Ag6 N8 O14
• SMILES: [Ag]([n]1c[nH]cc1)[n]1c[nH]cc1.[Ag]1([O]=C(c2c3ccccc3cc3c2cccc3)O1)OC(=O)c1c2ccccc2cc2ccccc12.[Ag]12([O]=C(c3c4ccccc4cc4c3cccc4)O[Ag]2([O]=C(c2c3ccccc3cc3c2cccc3)O1)[OH]C)[OH]C.[Ag]([n]1c[nH]cc1)[n]1c[nH]cc1.[Ag]1([O]=C(c2c3ccccc3cc3c2cccc3)O1)OC(=O)c1c2ccccc2cc2ccccc12
• Title of publication: Silver(i) complexes of 9-anthracenecarboxylic acid and imidazoles: synthesis, structure and antimicrobial activity.
• Authors of publication: McCann, Malachy; Curran, Robert; Ben-Shoshan, Marcia; McKee, Vickie; Tahir, Asif Ali; Devereux, Michael; Kavanagh, Kevin; Creaven, Bernadette S.; Kellett, Andrew
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 21
• Pages of publication: 6516 - 6527
• a: 20.6935 ± 0.0008 Å
• b: 18.2786 ± 0.0007 Å
• c: 23.6859 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8959.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No