Information card for entry 7043914

Structure parameters

• Formula: C42 H82 I4 N6 Si6 Zn2
• Calculated formula: C42 H82 I4 N6 Si6 Zn2
• SMILES: c1(ccccc1)C1=[N](C(C)(C)C)[Si](N1C(C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[Zn]1([I][Zn]([I]1)(I)[Si]1([N](=C(c2ccccc2)N1C(C)(C)C)C(C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)I
• Title of publication: Unprecedented solvent induced inter-conversion between monomeric and dimeric silylene-zinc iodide adducts
• Authors of publication: Yadav, Sandeep; Sangtani, Ekta; Dhawan, Diksha; Gonnade, Rajesh G.; Ghosh, Debashree; Sen, Sakya Singha
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.0979 ± 0.0004 Å
• b: 15.3333 ± 0.0006 Å
• c: 17.7409 ± 0.0007 Å
• α: 90°
• β: 91.11 ± 0.001°
• γ: 90°
• Cell volume: 3018.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.014
• Residual factor for significantly intense reflections: 0.0136
• Weighted residual factors for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.0325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No