Information card for entry 4114958

Structure parameters

• Formula: C36 H49 F Ge N2 S
• Calculated formula: C36 H49 F Ge N2 S
• SMILES: [Ge]1(=S)(F)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C
• Title of publication: Synthesis and Structures of [{HC(CMeNAr)2}Ge(S)X] (Ar = 2,6-iPr2C6H3, X = F, Cl, Me): Structurally Characterized Examples with a Formal Double Bond between Group 14 and 16 Elements Bearing a Halide
• Authors of publication: Yuqiang Ding; Qingjun Ma; Isabel Usón; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 8542 - 8543
• a: 13.467 ± 0.002 Å
• b: 16.804 ± 0.003 Å
• c: 15.668 ± 0.003 Å
• α: 90°
• β: 92.783 ± 0.016°
• γ: 90°
• Cell volume: 3541.5 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1318
• 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