Information card for entry 1550549

Structure parameters

• Formula: C72 H100 B2 N6 Si2 Zn2
• Calculated formula: C72 H100 B2 N6 Si2 Zn2
• SMILES: [Zn](N([Si](C)(C)C)B1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)/C(=C([Zn]N([Si](C)(C)C)B1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)\c1ccccc1)c1ccccc1
• Title of publication: Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis
• Authors of publication: Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.9999 ± 0.0004 Å
• b: 12.4537 ± 0.0005 Å
• c: 13.2073 ± 0.0005 Å
• α: 92.95 ± 0.002°
• β: 90.257 ± 0.002°
• γ: 108.041 ± 0.001°
• Cell volume: 1717.63 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No