Information card for entry 7040674

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: 7.425 ± 0.005 Å
• b: 11.072 ± 0.005 Å
• c: 14.288 ± 0.005 Å
• α: 91.048 ± 0.005°
• β: 101.586 ± 0.005°
• γ: 106.987 ± 0.005°
• Cell volume: 1096.8 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No