Information card for entry 7005268

Structure parameters

• Common name: Octakis(3(5)-phenylpyrazolido)tetracopper(ii) hemi-pentane solvate
• Chemical name: Octakis[3{5}-phenylpyrazolido]tetracopper(II) hemi-pentane solvate
• Formula: C74.5 H62 Cu4 N16
• Calculated formula: C74.32 H61.86 Cu4 N15.96
• 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: 18.978 ± 0.004 Å
• b: 17.233 ± 0.003 Å
• c: 22.798 ± 0.005 Å
• α: 90°
• β: 114.117 ± 0.008°
• γ: 90°
• Cell volume: 6805 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No