Information card for entry 4512703

Structure parameters

• Common name: compound 4
• Formula: C20 H22 N2 O10 Zn2
• Calculated formula: C20 H22 N2 O10 Zn2
• Title of publication: Additive Effects in the Formation of Fluorescent Zinc Metal‒Organic Frameworks with 5-Hydroxyisophthalate
• Authors of publication: Hill, Matthew D.; El-Hankari, Samir; Chiacchia, Mauro; Tizzard, Graham J.; Coles, Simon J.; Bradshaw, Darren; Kitchen, Jonathan A.; Keene, Tony D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1452
• a: 16.808 ± 0.003 Å
• b: 12.964 ± 0.003 Å
• c: 14.513 ± 0.003 Å
• α: 90°
• β: 108.46 ± 0.03°
• γ: 90°
• Cell volume: 2999.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0624
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No