Information card for entry 7014399

Structure parameters

• Common name: Dichloro(1,4,7,10,13,16-hexathiacyclooctadecane- S,S')germanium(ii)
• Chemical name: Dichloro(1,4,7,10,13,16-hexathiacyclooctadecane-S,S')germanium(II)
• Formula: C12 H24 Cl2 Ge S6
• Calculated formula: C12 H24 Cl2 Ge S6
• SMILES: C1CSCCSCCSCCSCCSCCS1.Cl[Ge]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: 23.563 ± 0.007 Å
• b: 5.0739 ± 0.0015 Å
• c: 17.06 ± 0.004 Å
• α: 90°
• β: 98.987 ± 0.015°
• γ: 90°
• Cell volume: 2014.6 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No