Information card for entry 7013920

Structure parameters

• Formula: C30 H34 Au2 Br2 N10
• Calculated formula: C30 H34 Au2 Br2 N10
• SMILES: [Au]1=C2N(C)C=CN2Cc2cccc(CN3C(N(C)C=C3)=[Au]=C3N(C)C=CN3Cc3cccc(CN4C=1N(C)C=C4)n3)n2.[Br-].[Br-]
• Title of publication: Synthesis, structural and magnetic properties of a series of copper(II) complexes containing a monocarboxylated perchlorotriphenylmethyl radical as a coordinating open-shell ligand.
• Authors of publication: Maspoch, D.; Ruiz-Molina, D; Wurst, K.; Vidal-Gancedo, J; Rovira, C.; Veciana, J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 7
• Pages of publication: 1073 - 1082
• a: 8.207 ± 0.001 Å
• b: 10.887 ± 0.001 Å
• c: 11.233 ± 0.001 Å
• α: 113.735 ± 0.003°
• β: 102.869 ± 0.003°
• γ: 100.632 ± 0.003°
• Cell volume: 852.38 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No