Information card for entry 2213919

Structure parameters

• Chemical name: (2-Ethylimidazole-κN)bis(tri-tert-butoxysilanethiolato-κ^2^O,S)zinc(II) propan-2-ol solvate
• Formula: C32 H70 N2 O7 S2 Si2 Zn
• Calculated formula: C32 H70 N2 O7 S2 Si2 Zn
• SMILES: [Zn]12(S[Si]([O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(S[Si]([O]2C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[n]1cc[nH]c1CC.OC(C)C
• Title of publication: (2-Ethylimidazole-κ<i>N</i>)bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)zinc(II) propan-2-ol solvate
• Authors of publication: Dołęga, Anna; Wieczerzak, Monika; Baranowska, Katarzyna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1774 - m1774
• a: 9.8958 ± 0.0002 Å
• b: 25.3673 ± 0.0006 Å
• c: 19.804 ± 0.0005 Å
• α: 90°
• β: 116.064 ± 0.002°
• γ: 90°
• Cell volume: 4465.82 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes