Information card for entry 7702353

Structure parameters

• Formula: C24 H21 F12 N9 Ni O P2
• Calculated formula: C24 H21 F12 N9 Ni O 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: 11.531 ± 0.003 Å
• b: 12.642 ± 0.003 Å
• c: 21.607 ± 0.005 Å
• α: 90°
• β: 96.26 ± 0.02°
• γ: 90°
• Cell volume: 3131 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1255
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections: 0.1646
• Weighted residual factors for significantly intense reflections: 0.1341
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No