Information card for entry 7008689

Structure parameters

• Formula: C39 H51 Ag B N6 O P S3
• Calculated formula: C39 H49 Ag B N6 O P S3
• SMILES: C12N(C(C)(C)C)C=CN1[BH]1N3C(N(C=C3)C(C)(C)C)=[S][Ag]([P](c3ccccc3)(c3ccccc3)c3ccccc3)([S]=2)[S]=C2N(C=CN12)C(C)(C)C.O
• 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: 13.7388 ± 0.0006 Å
• b: 13.7388 ± 0.0006 Å
• c: 12.8691 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2103.7 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No