Information card for entry 7114017

Structure parameters

• Formula: C24 H22 Cl4 Cu F6 N4 O7 S2
• Calculated formula: C23.994 H18 Cl4 Cu F6 N4 O7 S2
• Title of publication: A three-dimensional nanoporous flexible network of ‘square-planar’ copper(ii) centres with an unusual topologyElectronic supplementary information (ESI) available: XRPD spectra. See http://www.rsc.org/suppdata/cc/b2/b202588d/
• Authors of publication: Carlucci, Lucia; Cozzi, Nicola; Ciani, Gianfranco; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 1354
• a: 28.484 ± 0.008 Å
• b: 28.484 ± 0.008 Å
• c: 18.219 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14782 ± 8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections: 0.255
• Weighted residual factors for significantly intense reflections: 0.2307
• Goodness-of-fit parameter for all reflections: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No