Information card for entry 7035575

Structure parameters

• Formula: C37 H27 Au N2 O P2 S
• Calculated formula: C37 H27 Au N2 O P2 S
• SMILES: [Au]1(SC#N)[P](c2cccc3Nc4cccc([P]1(c1ccccc1)c1ccccc1)c4Oc23)(c1ccccc1)c1ccccc1
• Title of publication: Mechano-induced reversible colour and luminescence switching of a gold(i)-diphosphine complex.
• Authors of publication: Baranyai, Péter; Marsi, Gábor; Jobbágy, Csaba; Domján, Attila; Oláh, Laura; Deák, Andrea
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 30
• Pages of publication: 13455 - 13459
• a: 11.0432 ± 0.0005 Å
• b: 12.5167 ± 0.0006 Å
• c: 13.2977 ± 0.0005 Å
• α: 93.219 ± 0.002°
• β: 113.83 ± 0.003°
• γ: 110.676 ± 0.001°
• Cell volume: 1530.04 ± 0.13 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No