Information card for entry 4318939

Structure parameters

• Formula: C6 H10 Br2 Cl2 Cu N8
• Calculated formula: C6 H10 Br2 Cl2 Cu N8
• SMILES: Br[Cu]([n]1cn(CCCl)nn1)([n]1cn(CCCl)nn1)Br
• Title of publication: Strongly Isolated Ferromagnetic Layers in Poly-trans-μ-dichloro- and Poly-trans-μ-dibromobis(1-(2-chloroethyl)-tetrazole-N4)copper(II) Complexes
• Authors of publication: Arno F. Stassen; Huub Kooijman; Anthony L. Spek; L. Jos de Jongh; Jaap G. Haasnoot; Jan Reedijk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6468 - 6473
• a: 13.173 ± 0.003 Å
• b: 6.9196 ± 0.0012 Å
• c: 7.6141 ± 0.0012 Å
• α: 90°
• β: 91.491 ± 0.01°
• γ: 90°
• Cell volume: 693.8 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0213
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No