Information card for entry 7127898

Structure parameters

• Formula: C71 H92 F2 Ge N6 S6
• Calculated formula: C71 H92 F2 Ge N6 S6
• SMILES: [Ge]12(SC3N(C(=S)N(C=3S1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(SC1N(C(=S)N(C=1S2)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C.Fc1c(F)cccc1
• Title of publication: Carbene-mediated synthesis of a germanium tris(dithiolene)dianion.
• Authors of publication: Tran, Phuong M.; Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 20
• Pages of publication: 2543 - 2546
• a: 13.817 ± 0.001 Å
• b: 27.779 ± 0.002 Å
• c: 19.3544 ± 0.0013 Å
• α: 90°
• β: 107.003 ± 0.002°
• γ: 90°
• Cell volume: 7103.9 ± 0.9 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 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: 0.0622
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No