Information card for entry 1543301

Structure parameters

• Formula: C33 H43 Cl3 Ga Ge N5 Se
• Calculated formula: C33 H43 Cl3 Ga Ge N5 Se
• SMILES: [Se]([Ge]1=C2N(C=CN2CN2C=1N(C=C2)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Ga](Cl)(Cl)Cl.N#CC
• 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: 12.532 ± 0.0001 Å
• b: 18.8855 ± 0.0001 Å
• c: 16.0769 ± 0.0001 Å
• α: 90°
• β: 90.091 ± 0.001°
• γ: 90°
• Cell volume: 3804.96 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0381
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No