Information card for entry 7012521

Structure parameters

• Formula: C29 H41 Cl Ge N2 S
• Calculated formula: C29 H41 Cl Ge N2 S
• SMILES: Cl[Ge]1(=S)[N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Syntheses, structures and properties of [{HC(CMeNAr)2}Ge(E)X] (Ar = 2,6-iPr2C6H3; E = S, Se; X = F, Cl)
• Authors of publication: Ding, Yuqiang; Ma, Qingjun; Roesky, Herbert W.; Usón, Isabel; Noltemeyer, Mathias; Schmidt, Hans-Georg
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 1094
• a: 16.88 ± 0.003 Å
• b: 13.044 ± 0.003 Å
• c: 13.801 ± 0.003 Å
• α: 90°
• β: 108.57 ± 0.03°
• γ: 90°
• Cell volume: 2880.5 ± 1.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.0369
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No