Information card for entry 2237230

Structure parameters

• Chemical name: 2,2,7,7,12,12,17,17-Octamethyl-21,22,23,24-tetrathia-2,7,12,17- tetragermapentacyclo[16.2.1.1^3,6^.1^8,11^.1^13,16^]tetracosa- 3,5,8,10,13,15,18,20-octaene
• Formula: C24 H32 Ge4 S4
• Calculated formula: C24 H32 Ge4 S4
• SMILES: C[Ge]1(c2ccc(s2)[Ge](C)(C)c2sc(cc2)[Ge](C)(C)c2ccc(s2)[Ge](C)(C)c2sc1cc2)C
• Title of publication: 2,2,7,7,12,12,17,17-Octamethyl-21,22,23,24-tetrathia-2,7,12,17-tetragermapentacyclo[16.2.1.1^3,6^.1^8,11^.1^13,16^]tetracosa-3,5,8,10,13,15,18,20-octaene
• Authors of publication: Carel, Guillaume; Mallet-Ladeira, Sonia; Rima, Ghassoub; Madec, David; Castel, Annie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: m37
• a: 6.6211 ± 0.0004 Å
• b: 12.6668 ± 0.0007 Å
• c: 18.3413 ± 0.0011 Å
• α: 90°
• β: 90.698 ± 0.004°
• γ: 90°
• Cell volume: 1538.14 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes