Information card for entry 7013968

Structure parameters

• Formula: C44 H44 Au2 Br2 N8 O2
• Calculated formula: C44 H44 Au2 Br2 N8 O2
• SMILES: [Au]1=C2N3Cc4cc(CN5C(N(Cc6cc(CN2C=C3)ccc6)C=C5)=[Au]=C2N3Cc5cc(CN6C=1N(Cc1cc(CN2C=C3)ccc1)C=C6)ccc5)ccc4.[Br-].O.[Br-].O
• Title of publication: Dinuclear gold(I) complexes of bridging bidentate carbene ligands: synthesis, structure and spectroscopic characterisation.
• Authors of publication: Barnard, Peter J.; Baker, Murray V.; Berners-Price, Susan J; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 7
• Pages of publication: 1038 - 1047
• a: 8.6625 ± 0.0006 Å
• b: 10.4771 ± 0.0008 Å
• c: 11.73 ± 0.0008 Å
• α: 100.856 ± 0.002°
• β: 91.948 ± 0.002°
• γ: 84.965 ± 0.002°
• Cell volume: 1041.34 ± 0.13 ų
• Cell temperature: 150 ± 2 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: 0.053
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No