Information card for entry 7014400

Structure parameters

• Common name: Chloro(1,4,7-trioxa-10,13,16- trithiacyclooctadecane)germanium(ii) trichlorogermanate
• Chemical name: Chloro(1,4,7-trioxa-10,13,16-trithiacyclooctadecane)germanium(II) trichlorogermanate
• Formula: C12 H24 Cl4 Ge2 O3 S3
• Calculated formula: C12 H24 Cl4 Ge2 O3 S3
• SMILES: [Ge]12345(Cl)[S]6CC[S]1CC[S]2CC[O]3CC[O]4CC[O]5CC6.[Ge](Cl)(Cl)[Cl-]
• 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: 13.906 ± 0.003 Å
• b: 11.583 ± 0.002 Å
• c: 14.273 ± 0.003 Å
• α: 90°
• β: 98.159 ± 0.01°
• γ: 90°
• Cell volume: 2275.7 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1209
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No