Information card for entry 7044322

Structure parameters

• Chemical name: PTCA-Cu
• Formula: C18 H30 Cu N4 O8
• Calculated formula: C18 H30 Cu N4 O8
• Title of publication: A long-range emissive mega-Stokes inorganic–organic hybrid material with peripheral carboxyl functionality for As(v) recognition and its application in bioimaging
• Authors of publication: Venkateswarulu, M.; Gambhir, Diksha; Kaur, Harpreet; Daniel, P. Vineeth; Mondal, Prosenjit; Koner, Rik Rani
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.5798 ± 0.0002 Å
• b: 11.2874 ± 0.0003 Å
• c: 22.5286 ± 0.0005 Å
• α: 90°
• β: 97.823 ± 0.002°
• γ: 90°
• Cell volume: 2161.45 ± 0.09 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No