Information card for entry 7119032

Structure parameters

• Formula: C34.25 H22.5 Au2 Cl0.5 N2
• Calculated formula: C34.25 H22.5 Au2 Cl0.5 N2
• Title of publication: Luminescent mechanochromism of a chiral complex: distinct crystal structures and color changes of racemic and homochiral gold( <scp>i</scp> ) isocyanide complexes with a binaphthyl moiety
• Authors of publication: Jin, Mingoo; Seki, Tomohiro; Ito, Hajime
• Journal of publication: Chem. Commun.
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 52
• Pages of publication: 8083 - 8086
• a: 13.0435 ± 0.0004 Å
• b: 18.7272 ± 0.0007 Å
• c: 23.6159 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5768.6 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No