Information card for entry 7210514

Structure parameters

• Formula: C42 H68 Au2 N8
• Calculated formula: C42 H68 Au2 N8
• SMILES: C1(c2ccc(C3=[NH+]CC(CN3)(CCCCCC)CCCCCC)cc2)=[NH+]CC(CN1)(CCCCCC)CCCCCC.N#C[Au]C#N.N#C[Au]C#N
• Title of publication: Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates
• Authors of publication: Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1922
• a: 6.5286 ± 0.0013 Å
• b: 12.843 ± 0.003 Å
• c: 13.746 ± 0.003 Å
• α: 89.31 ± 0.03°
• β: 83.39 ± 0.03°
• γ: 81.26 ± 0.03°
• Cell volume: 1131.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No