Information card for entry 4345236

Structure parameters

• Formula: C48 H71 Ge N2 P S3
• Calculated formula: C48 H71 Ge N2 P S3
• SMILES: [Ge]1(SP(=S)(C2CCCCC2)C2CCCCC2)(=S)N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C.c1(ccccc1)C
• Title of publication: The Reactivity of Germanium Phosphanides with Chalcogens
• Authors of publication: Harris, Lisa M.; Tam, Eric C. Y.; Cummins, Struan J. W.; Coles, Martyn P.; Fulton, J. Robin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 10.37898 ± 0.00013 Å
• b: 21.007 ± 0.0003 Å
• c: 22.1248 ± 0.0004 Å
• α: 90°
• β: 101.152 ± 0.0013°
• γ: 90°
• Cell volume: 4732.81 ± 0.13 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 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: 0.0288
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No