Information card for entry 7005269

Structure parameters

• Common name: Pentakis(3(5)-(4-fluorophenyl)pyrazolido)tetrakis(5-(4- fluorophenyl)pyrazole) trifluorotetracopper(ii) dichloromethane (1/0.75) 3(5)-(4-fluorophenyl)pyrazole (1/0.25) solvate
• Chemical name: Pentakis[3{5}-(4-fluorophenyl)pyrazolido]tetrakis[5-(4-fluorophenyl)pyrazole] trifluorotetracopper(II) dichloromethane (1/0.75) 3{5}-(4-fluorophenyl)pyrazole (1/0.25) solvate
• Formula: C84 H61.25 Cl1.5 Cu4 F12.25 N18.5
• Calculated formula: C84 H61.25 Cl1.5 Cu4 F12.25 N18.5
• 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: 17.0552 ± 0.0001 Å
• b: 20.9288 ± 0.0001 Å
• c: 25.8492 ± 0.0002 Å
• α: 90.5532 ± 0.0002°
• β: 103.568 ± 0.0003°
• γ: 106.779 ± 0.0004°
• Cell volume: 8557.63 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1994
• 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