Information card for entry 7013917

Structure parameters

• Formula: C48 H46 Au2 Br2 N10
• Calculated formula: C48 H46 Au2 Br2 N10
• SMILES: [Au](=C1N2Cc3c(CN4C(=[Au]5)N(Cc6c(cccc6)CN1C=C2)C=C4)cccc3)=C1N2Cc3c(cccc3)CN3C=5N(Cc4c(CN1C=C2)cccc4)C=C3.[Br-].[Br-].N#CC.N#CC
• 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: 14.584 ± 0.001 Å
• b: 12.3369 ± 0.0009 Å
• c: 24.899 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4479.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.029
• Goodness-of-fit parameter for all reflections: 0.957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No