Information card for entry 7044952

Structure parameters

• Formula: C18 H24 Au Cl I6 N8
• Calculated formula: C18 H24 Au Cl I6 N8
• SMILES: C12N(C)C=CN1CN1C=CN(C)C1=[Au]1=2=C2N(C)C=CN2CN2C=CN(C)C=12.[I-](I)I.[I-](I)I.[Cl-]
• Title of publication: A square planar gold(iii) bis-(1,1'-dimethyl-3,3'-methylene-diimidazol-2,2'-diylidene) trication as an efficient and selective receptor towards halogen anions: the cooperative effect of AuX and XHC interactions.
• Authors of publication: Baron, Marco; Dall'Anese, Anna; Tubaro, Cristina; Orian, Laura; Di Marco, Valerio; Bogialli, Sara; Graiff, Claudia; Basato, Marino
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 935 - 945
• a: 13.237 ± 0.006 Å
• b: 21.466 ± 0.01 Å
• c: 12.233 ± 0.006 Å
• α: 90°
• β: 108.518 ± 0.007°
• γ: 90°
• Cell volume: 3296 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No