Information card for entry 2103499

Structure parameters

• Formula: C40 H40 Br10 P2 Se4 Te
• Calculated formula: C40 H40 Br10 P2 Se4 Te
• SMILES: [P+](c1ccccc1)(c1ccccc1)(CC)c1ccccc1.[Te](Br)(Br)(Br)(Br)([Br-])[Br-].Br[Se][Se]Br.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC.Br[Se][Se]Br
• Title of publication: Commensurate and incommensurate structures of~the hexabromotellurate(IV) bis{dibromodiselenate(I)} ion ‒ [(C~2~H~5~)~<i>n~</i>(C~6~H~5~)~4{-~<i>n</i>}P]~2~[TeBr~6~(Se~2~Br~2~)~2~], <i>n</i>=0,1
• Authors of publication: Janickis, Vitalijus; Nečas, Marek; Novosad, Josef; Dušek, Michal; Petříček, Václav
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: 977 - 985
• a: 10.363 ± 0.002 Å
• b: 12.83 ± 0.003 Å
• c: 19.666 ± 0.004 Å
• α: 90°
• β: 92.43 ± 0.03°
• γ: 90°
• Cell volume: 2612.4 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0357
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0388
• Goodness-of-fit parameter for all reflections included in the refinement: 2.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes