Information card for entry 7013918

Structure parameters

• Formula: C40 H40 Au2 Br2 N12 O2
• Calculated formula: C40 H40 Au2 Br2 N12 O2
• SMILES: [Au]1=C2N3Cc4cccc(CN5C(N(Cc6cccc(CN2C=C3)n6)C=C5)=[Au]=C2N3Cc5cccc(CN6C=1N(Cc1cccc(CN2C=C3)n1)C=C6)n5)n4.[Br-].O.[Br-].O
• 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: 8.515 ± 0.001 Å
• b: 11.008 ± 0.002 Å
• c: 11.847 ± 0.002 Å
• α: 97.12 ± 0.003°
• β: 102.365 ± 0.003°
• γ: 97.137 ± 0.003°
• Cell volume: 1063.2 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections: 0.995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No