Information card for entry 7014401

Structure parameters

• Common name: chloro(1,4,7-trioxa-10,13,16- trithiacyclooctadecane)germanium(ii) trifluoromethanesulfonate
• Chemical name: chloro(1,4,7-trioxa-10,13,16-trithiacyclooctadecane)germanium(II) trifluoromethanesulfonate
• Formula: C13 H24 Cl F3 Ge O6 S4
• Calculated formula: C13 H24 Cl F3 Ge O6 S4
• SMILES: [Ge]1234(Cl)[S]5CCSCC[S]1CC[O]2CC[O]3CC[O]4CC5.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Supramolecular assemblies of germanium(II) halides with O-, S- and Se-donor macrocycles - the effects of donor atom type upon structure.
• Authors of publication: Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 694 - 700
• a: 14.504 ± 0.004 Å
• b: 11.482 ± 0.004 Å
• c: 14.671 ± 0.005 Å
• α: 90°
• β: 115.585 ± 0.015°
• γ: 90°
• Cell volume: 2203.7 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.211
• Residual factor for significantly intense reflections: 0.1093
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No