Information card for entry 7715508

Structure parameters

• Formula: C53 H70 B2 I6 N4 S3 Si
• Calculated formula: C53 H70 B2 I6 N4 S3 Si
• SMILES: [Si]12(Sc3n(c(S[B](I)(I)I)[n+](c3S1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)N(C([B](I)(I)I)C=[N+]2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 11.2064 ± 0.0009 Å
• b: 27.535 ± 0.002 Å
• c: 20.4784 ± 0.0015 Å
• α: 90°
• β: 91.136 ± 0.002°
• γ: 90°
• Cell volume: 6317.7 ± 0.8 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No