Information card for entry 4512704

Structure parameters

• Formula: C18 H14 N O11 Zn2
• Calculated formula: C18 H14 N O11 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: 23.6519 ± 0.0017 Å
• b: 13.0546 ± 0.0009 Å
• c: 26.462 ± 0.0019 Å
• α: 90°
• β: 115.424 ± 0.003°
• γ: 90°
• Cell volume: 7379.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1628
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.2577
• Weighted residual factors for all reflections included in the refinement: 0.2899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No