Information card for entry 7102192

Structure parameters

• Formula: C54 H94 Ge2 P2 S2
• Calculated formula: C54 H94 Ge2 P2 S2
• SMILES: C1(=P(c2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)=S)[Ge](C(C)(C)C)(C(=P(=S)c2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)[Ge]1(C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: 1,3-Digermacyclobutanes with exocyclic C=P and C=P=S double bonds.
• Authors of publication: Petrar, Petronela Maria; Nemes, Gabriela; Silaghi-Dumitrescu, Ioan; Ranaivonjatovo, Henri; Gornitzka, Heinz; Escudié, Jean
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 40
• Pages of publication: 4149 - 4151
• a: 33.16 ± 0.003 Å
• b: 11.3364 ± 0.001 Å
• c: 17.1891 ± 0.0015 Å
• α: 90°
• β: 118.224 ± 0.002°
• γ: 90°
• Cell volume: 5693.4 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0394
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No