Information card for entry 7035540

Structure parameters

• Common name: zinccarboxylate
• Formula: C18.5 H15 N1.5 O7.5 S Zn
• Calculated formula: C18.5 H15 N1.5 O7.5 S Zn
• Title of publication: The effect of cluster size on the optical band gap energy of Zn-based metal-organic frameworks.
• Authors of publication: Ghosh, Raja; Pedicini, Anthony F.; Rao, Purna Chandra; Asha, K. S.; Reber, Arthur C.; Mandal, Sukhendu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 30
• Pages of publication: 13464 - 13468
• a: 22.2749 ± 0.0007 Å
• b: 12.7253 ± 0.0004 Å
• c: 17.7334 ± 0.0009 Å
• α: 90°
• β: 126.335 ± 0.001°
• γ: 90°
• Cell volume: 4049.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No