Information card for entry 1543302

Structure parameters

• Formula: C39 H56 Cl3 Ga Ge N4 O2 S2
• Calculated formula: C39 H56 Cl3 Ga Ge N4 O2 S2
• SMILES: [Ge]1(=S)(=[S][Ga](Cl)(Cl)Cl)=C2N(C=CN2c2c(C(C)C)cccc2C(C)C)CN2C=1N(C=C2)c1c(C(C)C)cccc1C(C)C.O1CCCC1.O1CCCC1
• Title of publication: Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)
• Authors of publication: Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 5462
• a: 16.323 ± 0.0002 Å
• b: 21.5944 ± 0.0003 Å
• c: 7.6252 ± 0.0001 Å
• α: 90°
• β: 109.772 ± 0.001°
• γ: 90°
• Cell volume: 2529.32 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No