Information card for entry 4133397

Structure parameters

• Formula: C52 H52 Cl4 Ge2 N2 O4 Zn
• Calculated formula: C52 H52 Cl4 Ge2 N2 O4 Zn
• SMILES: [Ge](/C=C1\[Zn]2([O]=C3OCC(N13)(C)C)[O]=C1OCC(N1/C2=C/[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl
• Title of publication: Radical Germylzincation of α-Heteroatom-Substituted Alkynes.
• Authors of publication: de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 50
• Pages of publication: 17632 - 17642
• a: 21.4118 ± 0.0005 Å
• b: 12.0493 ± 0.0002 Å
• c: 39.1926 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10111.6 ± 0.4 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No