Information card for entry 4314320

Structure parameters

• Formula: C36 H48 N2 P4 S2 Se2 Te
• Calculated formula: C36 H48 N2 P4 S2 Se2 Te
• SMILES: C(C)(C)P1(C(C)C)=NP(c2ccccc2)(c2ccccc2)=[Se][Te]2(S1)SP(C(C)C)(C(C)C)=NP(c1ccccc1)(c1ccccc1)=[Se]2
• Title of publication: Synthesis and Characterization of HN(SPiPr2)(SePPh2) and [Te{N(SPiPr2)(SePPh2)}2]
• Authors of publication: Perumal Sekar; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6294 - 6299
• a: 8.7931 ± 0.0005 Å
• b: 17.183 ± 0.001 Å
• c: 14.1026 ± 0.0009 Å
• α: 90°
• β: 104.696 ± 0.001°
• γ: 90°
• Cell volume: 2061.1 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No