Information card for entry 2015916

Structure parameters

• Chemical name: Chlorobis[(2-oxoazocan-1-yl)methyl]germanium(IV) trifluoromethanesulfonate
• Formula: C17 H28 Cl F3 Ge N2 O5 S
• Calculated formula: C17 H28 Cl F3 Ge N2 O5 S
• SMILES: [Ge]12(Cl)([O]=C3N(C1)CCCCCC3)[O]=C1N(C2)CCCCCC1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Chloridobis[(2-oxoazocan-1-yl)methyl]germanium(IV) trifluoromethanesulfonate
• Authors of publication: Komissarov, Eugene A.; Korlyukov, Alexander A.; Kramarova, Eugeniya P.; Bylikin, Sergey Yu.; Negrebetsky, Vadim V.; Baukov, Yuri I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m144 - m146
• a: 14.3288 ± 0.0005 Å
• b: 12.0353 ± 0.0004 Å
• c: 13.1364 ± 0.0005 Å
• α: 90°
• β: 108.131 ± 0.001°
• γ: 90°
• Cell volume: 2152.91 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes