Information card for entry 7055806

Structure parameters

• Chemical name: dichloro(1,5-bis(p-tolyl)-3,7-bis(pyridine-2-yl)-1,5-diaza-3,7- diphosphacyclooctane)gold(I) acetonitrile solvate
• Formula: C30 H33 Au2 Cl2 N5 P2
• Calculated formula: C30 H33 Au2 Cl2 N5 P2
• Title of publication: “Host-guest” binding of luminescent dinuclear Au(I) complex based on cyclic diphosphine with organic substrates as a reason for luminescence tuneability
• Authors of publication: Shamsutdinova, Nataliya; Strelnik, Igor D.; Musina, Elvira I.; Gerasimova, Tatiana; Katsyuba, Sergey; Babaev, Vasily; Krivolapov, Dmitry; Litvinov, Igor; Mustafina, Asiya; Karasik, Andrey A.; Sinyashin, Oleg Geroldovich
• Journal of publication: New J. Chem.
• Year of publication: 2016
• a: 20.27 ± 0.012 Å
• b: 18.845 ± 0.011 Å
• c: 20.136 ± 0.012 Å
• α: 90°
• β: 119.588 ± 0.006°
• γ: 90°
• Cell volume: 6689 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No