Information card for entry 7005270

Structure parameters

• Common name: Bis(5-(4-fluorophenyl)pyrazolido)-bis(5-(4- fluorophenyl)pyrazole)copper(ii)
• Chemical name: Bis[5-{4-fluorophenyl}pyrazolido]-bis[5-{4-fluorophenyl}pyrazole]copper(II)
• Formula: C36 H26 Cu F4 N8
• Calculated formula: C36 H26 Cu F4 N8
• SMILES: [Cu]([n]1[nH]c(cc1)c1ccc(cc1)F)(n1nc(cc1)c1ccc(cc1)F)([n]1[nH]c(cc1)c1ccc(cc1)F)n1nc(cc1)c1ccc(cc1)F
• Title of publication: Four copper(II) pyrazolido complexes derived from reactions of 3{5}-substituted pyrazoles with CuF(2) or Cu(OH)(2).
• Authors of publication: Mokuolu, Q. Folshade; Foguet-Albiol, Dolos; Jones, Leigh F.; Wolowska, Joanna; Kowalczyk, Radoslaw M.; Kilner, Colin A.; Christou, George; McGowan, Patrick C.; Halcrow, Malcolm A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 14
• Pages of publication: 1392 - 1399
• a: 36.1535 ± 0.0006 Å
• b: 7.6937 ± 0.0001 Å
• c: 10.9951 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3058.33 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No