Information card for entry 7013919

Structure parameters

• Formula: C32 H44 Au2 Br2 N8 O4
• Calculated formula: C32 H44 Au2 Br2 N8 O4
• SMILES: [Au]1=C2N(C)C=CN2Cc2cc(CN3C(N(C)C=C3)=[Au]=C3N(C)C=CN3Cc3cc(CN4C=1N(C)C=C4)ccc3)ccc2.[Br-].O.O.[Br-].O.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: 11.6088 ± 0.0006 Å
• b: 8.4127 ± 0.0005 Å
• c: 19.993 ± 0.001 Å
• α: 90°
• β: 101.004 ± 0.001°
• γ: 90°
• Cell volume: 1916.64 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections: 0.987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No