Information card for entry 2014467

Structure parameters

• Chemical name: di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl-κN^2^)pyridine-κN](perchlorato- κO)copper(II)}
• Formula: C22 H18 Br2 Cl2 Cu2 N10 O8
• Calculated formula: C22 H18 Br2 Cl2 Cu2 N10 O8
• SMILES: Br1[Cu]23([n]4[n](ccc4)c4[n]2c([n]2[n]3ccc2)ccc4)(OCl(=O)(=O)=O)Br[Cu]123([n]4c([n]5[n]2ccc5)cccc4[n]1[n]3ccc1)OCl(=O)(=O)=O
• Title of publication: The copper(II) complexes di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl)pyridine]perchloratocopper(II)} and [2,6-bis(pyrazol-1-yl)pyridine]dibromocopper(II)
• Authors of publication: Chakrabarty, Surajit; Poddar, Raj. K.; Poulsen, Rasmus D.; Thompson, Amber L.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m628 - m630
• a: 7.8033 ± 0.0002 Å
• b: 15.1425 ± 0.0005 Å
• c: 12.7301 ± 0.0003 Å
• α: 90°
• β: 106.305 ± 0.002°
• γ: 90°
• Cell volume: 1443.71 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes