Information card for entry 7715503

Structure parameters

• Formula: C67 H86 B2 Br6 N4 S3 Si
• Calculated formula: C67 H86 B2 Br6 N4 S3 Si
• Title of publication: Unusual nucleophilic reactivity of a dithiolene-based N-heterocyclic silane.
• Authors of publication: Tran, Phuong M.; Wang, Yuzhong; Lahm, Mitchell E.; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 6178 - 6183
• a: 11.0692 ± 0.0008 Å
• b: 16.5906 ± 0.0012 Å
• c: 21.0529 ± 0.0015 Å
• α: 81.044 ± 0.002°
• β: 83.385 ± 0.002°
• γ: 71.37 ± 0.002°
• Cell volume: 3610.1 ± 0.5 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 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: 0.0984
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No