Information card for entry 7000588

Structure parameters

• Common name: [(p-tosyl)methyNC]gold bromide
• Chemical name: bromo[(p-tosyl)methylisonitrile]gold
• Formula: C9 H9 Au Br N O2 S
• Calculated formula: C9 H9 Au Br N O2 S
• Title of publication: Luminescence, structural, and bonding trends upon varying the halogen in isostructural aurophilic dimers
• Authors of publication: Elbjeirami, Oussama; Gonser, M. W. Alexander; Stewart, Barbara N.; Bruce, Alice E.; Bruce, Mitchell R. M.; Cundari, Thomas R.; Omary, Mohammad A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1522 - 1533
• a: 28.554 ± 0.004 Å
• b: 5.2623 ± 0.0006 Å
• c: 21.234 ± 0.003 Å
• α: 90°
• β: 129.315 ± 0.002°
• γ: 90°
• Cell volume: 2468.5 ± 0.6 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 7
• 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: 0.0378
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No