Information card for entry 7117117

Structure parameters

• Formula: C36 H24 N4 O4 S Zn
• Calculated formula: C36 H24 N4 O4 S Zn
• Title of publication: Two luminescent Zn(II) metal-organic frameworks for exceptionally selective detection of picric acid explosives
• Authors of publication: Zhi-Qiang Shi; Zi-Jian Guo; He-Gen Zheng
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8300
• a: 18.379 ± 0.0019 Å
• b: 10.6606 ± 0.0011 Å
• c: 31.736 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6218.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0647
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1735
• 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