Information card for entry 7040675

Structure parameters

• Chemical name: Bis{(mu-bromido)[mu-(1,4-bis(1-naphthyltelluro)butane]copper}
• Formula: C48 H44 Br2 Cu2 Te4
• Calculated formula: C48 H44 Br2 Cu2 Te4
• SMILES: C1CCC[Te](c2cccc3ccccc23)[Cu]23[Br][Cu]([Te]1c1cccc4c1cccc4)([Br]3)[Te](CCCC[Te]2c1cccc2ccccc12)c1cccc2ccccc12
• Title of publication: Synthesis, characterization, and ligand behaviour of a new ditelluroether (C10H7)Te(CH2)4Te(C10H7) and the concurrently formed ionic [(C10H7)Te(CH2)4]Br.
• Authors of publication: Poropudas, Merja J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17206 - 17215
• a: 15.679 ± 0.003 Å
• b: 12.479 ± 0.003 Å
• c: 11.389 ± 0.002 Å
• α: 90°
• β: 96.32 ± 0.03°
• γ: 90°
• Cell volume: 2214.8 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No