Information card for entry 7011397

Structure parameters

• Chemical name: Dichlorodiaquabis[2,6-bis(3-tert-butylpyrazolyl)pyridine]dicopper(II) ditetrafluoroborate
• Formula: C38 H54 B2 Cl2 Cu2 F8 N10 O2
• Calculated formula: C38 H54 B2 Cl2 Cu2 F8 N10 O2
• Title of publication: Copper(II) complexes of 2,6-bis(3-tert-butylpyrazol-1-yl)pyridine
• Authors of publication: Nayan K. Solanki; Eric J. L. McInnes; David Collison; Colin A. Kilner; John E. Davies; Malcolm A. Halcrow
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1625 - 1630
• a: 10.347 ± 0.015 Å
• b: 11.521 ± 0.007 Å
• c: 19.455 ± 0.017 Å
• α: 90°
• β: 96.36 ± 0.09°
• γ: 90°
• Cell volume: 2305 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No