Information card for entry 4310476

Structure parameters

• Common name: Te(Tm)2
• Formula: C26 H34 B2 Cl6 N12 S6 Te
• Calculated formula: C26 H34 B2 Cl6 N12 S6 Te
• SMILES: CN1C(=S)N(C=C1)[BH]1N2C(N(C=C2)C)=[S][Te]2([S]=C3N(C=CN3C)[BH](N3C(=[S]2)N(C=C3)C)N2C(=S)N(C=C2)C)[S]=C2N1C=CN2C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Pushing the Frontiers of Hard and Soft Scorpionate Chemistry
• Authors of publication: Christopher A. Dodds; Alan R. Kennedy; John Reglinski; Mark D. Spicer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 394 - 395
• a: 15.1347 ± 0.0002 Å
• b: 19.483 ± 0.0003 Å
• c: 15.2672 ± 0.0003 Å
• α: 90°
• β: 105.684 ± 0.001°
• γ: 90°
• Cell volume: 4334.21 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No