Information card for entry 4302471

Structure parameters

• Formula: C49 H43 B N6 S2 Zn
• Calculated formula: C49 H43 B N6 S2 Zn
• SMILES: [Zn]12(SSC(c3ccccc3)(c3ccccc3)c3ccccc3)[n]3n([BH](n4[n]1c(cc4C)c1ccccc1)n1[n]2c(cc1C)c1ccccc1)c(cc3c1ccccc1)C
• Title of publication: Synthesis, Characterization, and Reactivity of Alkyldisulfanido Zinc Complexes
• Authors of publication: Erwan Galardon; Alain Tomas; Mohamed Selkti; Pascal Roussel; Isabelle Artaud
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 5921 - 5927
• a: 11.977 ± 0.001 Å
• b: 12.926 ± 0.001 Å
• c: 14.842 ± 0.001 Å
• α: 98.18 ± 0.02°
• β: 111.25 ± 0.02°
• γ: 97.77 ± 0.02°
• Cell volume: 2075.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No