Information card for entry 7012524

Structure parameters

• Formula: C31 H49 Cl5 Ge N2 Se
• Calculated formula: C31 H45 Cl5 Ge N2 Se
• SMILES: [Se]=[Ge]1(Cl)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.ClCCl.ClCCl
• 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: 13.176 ± 0.003 Å
• b: 15.269 ± 0.003 Å
• c: 18.045 ± 0.004 Å
• α: 90°
• β: 91.44 ± 0.03°
• γ: 90°
• Cell volume: 3629.2 ± 1.4 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: 0.0553
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No