Information card for entry 7035542

Structure parameters

• Common name: zinccarboxylate
• Formula: C15.5 H9 N0.5 O7.5 S Zn1.5
• Calculated formula: C15.5 H9 N0.5 O7.5 S Zn1.5
• 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: 13.9367 ± 0.0007 Å
• b: 6.104 ± 0.0003 Å
• c: 19.7129 ± 0.0011 Å
• α: 90°
• β: 93.616 ± 0.002°
• γ: 90°
• Cell volume: 1673.63 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0668
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No