Information card for entry 7050512

Structure parameters

• Formula: C8 H6 Cd O5
• Calculated formula: C8 H4 Cd O5
• Title of publication: A novel organic-inorganic hybrid material with fluorescent emission: [Cd(PT)(H2O)]n (PT?=?phthalate)Electronic supplementary information (ESI) available: figures showing the metal-oxygen framework of 1 and its XPS, IR, UV-vis spectra and the decay of the luminescence, as well as the fluorescent excitation and emission spectra of PT. See http://www.rsc.org/suppdata/nj/b2/b211358a/
• Authors of publication: Wang, Shutao; Hou, Yu; Wang, Enbo; Li, Yangguang; Xu, Lin; Peng, Jun; Liu, Shuxia; Hu, Changwen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1144
• a: 9.2775 ± 0.0008 Å
• b: 7.7207 ± 0.0006 Å
• c: 23.449 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1679.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No