Information card for entry 1540675

Structure parameters

• Formula: C51 H33 Au N6 O2
• Calculated formula: C51 H33 Au N6 O2
• SMILES: c1c2=C(c3ccc4=c5ccc6=C(c7ccc8=C(c(c1)[n]2[Au](n56)([n]34)[n]78)c1ccc(c2ccc(OC)cc12)OC)c1ccc(C#N)cc1)c1ccc(cc1)C#N.c1ccccc1
• Title of publication: Structural, electrochemical and spectroelectrochemical study on the geometric and electronic structures of [(corrolato)Au(III)](n) (n = 0, +1, -1) complexes.
• Authors of publication: Sinha, Woormileela; Sommer, Michael G.; van der Meer, Margarethe; Plebst, Sebastian; Sarkar, Biprajit; Kar, Sanjib
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2914 - 2923
• a: 8.6926 ± 0.0009 Å
• b: 15.5671 ± 0.0016 Å
• c: 15.6537 ± 0.0016 Å
• α: 106.257 ± 0.003°
• β: 106.034 ± 0.003°
• γ: 95.639 ± 0.003°
• Cell volume: 1918.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0609
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No