Information card for entry 4081374

Structure parameters

• Formula: C113 H99 Ag2 Au2 Cl2 N3 O12 P6
• Calculated formula: C113 H99 Ag2 Au2 Cl2 N3 O12 P6
• SMILES: [C]1(#Cc2ccc(cc2)C=O)[Ag]2[P](c3nc([P]([Ag]([C](#Cc4ccc(cc4)C=O)[Au]1)[P](c1nc([P]([Au][P](c4ccccc4)(c4nc([P]2(c2ccccc2)c2ccccc2)ccc4)c2ccccc2)(c2ccccc2)c2ccccc2)ccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)ccc3)(c1ccccc1)c1ccccc1.CCOCC.Cl(=O)(=O)(=O)[O-].CCOCC.Cl(=O)(=O)(=O)[O-]
• Title of publication: New Luminescent Ag2Au2Heteronuclear Alkynyl‒Phosphine Complexes and Recognition of Homocysteine and Cysteine
• Authors of publication: Jiang, Yi; Wang, Yong-Tao; Ma, Zheng-Gen; Li, Zhi-Hong; Wei, Qiao-Hua; Chen, Guo-Nan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 17
• Pages of publication: 4919
• a: 26.039 ± 0.005 Å
• b: 15.445 ± 0.003 Å
• c: 26.79 ± 0.005 Å
• α: 90°
• β: 100.79 ± 0.03°
• γ: 90°
• Cell volume: 10584 ± 4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No