Information card for entry 7008690

Structure parameters

• Formula: C40.75 H51 Au B N6 P S3
• Calculated formula: C40.75 H51 Au B N6 P S3
• SMILES: [Au]1([S]=C2N(C=CN2[BH](N2C(=S)N(C=C2)C(C)(C)C)N2C(=[S]1)N(C=C2)C(C)(C)C)C(C)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C
• Title of publication: Tris(mercaptoimidazolyl)borate complexes of the coinage metals: syntheses and molecular structures of the first gold compounds and related copper and silver derivatives.
• Authors of publication: Patel, Denish V.; Mihalcik, David J.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Kassel, W. Scott; Rheingold, Arnold L.; Rabinovich, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 14
• Pages of publication: 2410 - 2416
• a: 20.4526 ± 0.0017 Å
• b: 20.5057 ± 0.0018 Å
• c: 21.961 ± 0.0019 Å
• α: 74.297 ± 0.001°
• β: 81.811 ± 0.001°
• γ: 82.151 ± 0.001°
• Cell volume: 8729.6 ± 1.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0668
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No