Information card for entry 4302470

Structure parameters

• Formula: C46 H61 B N6 S2 Zn
• Calculated formula: C46 H61 B N6 S2 Zn
• SMILES: [Zn]12(SSC(c3ccccc3)(c3ccccc3)c3ccccc3)[n]3n([BH](n4[n]1c(cc4C(C)C)C(C)C)n1[n]2c(cc1C(C)C)C(C)C)c(cc3C(C)C)C(C)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: 9.713 ± 0.001 Å
• b: 14.894 ± 0.001 Å
• c: 16.308 ± 0.001 Å
• α: 84.45 ± 0.01°
• β: 89.09 ± 0.01°
• γ: 84.25 ± 0.01°
• Cell volume: 2336.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0661
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No