Information card for entry 7702356

Structure parameters

• Formula: C52 H52 Cu4 F12 N18 O4 P2
• Calculated formula: C52 H52 Cu4 F12 N18 O4 P2
• Title of publication: Tetranuclear grid-like copper(II) complexes with pyrazolate bridges: syntheses, structures, magnetic and EPR spectroscopic properties
• Authors of publication: Mann, Karen L. V.; Psillakis, Elefteria; Jeffery, John C.; Rees, Leigh H.; Harden, Nicholas M.; McCleverty, Jon A.; Ward, Michael D.; Gatteschi, Dante; Totti, Federico; Mabbs,, Frank E.; McInnes, Eric J. L.; Riedi, Peter C.; Smith, Graham M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 3
• Pages of publication: 339
• a: 10.888 ± 0.002 Å
• b: 12.739 ± 0.002 Å
• c: 13.05 ± 0.002 Å
• α: 116.745 ± 0.008°
• β: 101.313 ± 0.011°
• γ: 102.246 ± 0.013°
• Cell volume: 1488.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.0943
• Weighted residual factors for significantly intense reflections: 0.0903
• Goodness-of-fit parameter for all reflections: 0.903
• Goodness-of-fit parameter for significantly intense reflections: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No