Information card for entry 7013000

Structure parameters

• Chemical name: catena-Poly[[trans-dibromocopper(II)]-bis-μ-1-(2-methoxyethyl)tetrazole- κ^2^N^2^:N^4^]
• Formula: C8 H16 Br2 Cu N8 O2
• Calculated formula: C8 H16 Br2 Cu N8 O2
• SMILES: Br[Cu]([n]1cn(CCOC)nn1)([n]1cn(CCOC)nn1)Br
• Title of publication: Linkage isomers of dibromobis(1-(2-methoxyethyl)tetrazole)copper(ii) containing either a bromide or a unique tetrazole bridge
• Authors of publication: Stassen, Arno F.; Grunert, Matthias; Mills, Allison M.; Spek, Anthony L.; Haasnoot, Jaap G.; Reedijk, Jan; Linert, Wolfgang
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 3628
• a: 11.0015 ± 0.0002 Å
• b: 8.3934 ± 0.0001 Å
• c: 8.9823 ± 0.0001 Å
• α: 90°
• β: 105.989 ± 0.001°
• γ: 90°
• Cell volume: 797.34 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0396
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No