Information card for entry 7052992

Structure parameters

• Formula: C21 H20 N8 O7 Zn2
• Calculated formula: C21 H20 N8 O7 Zn2
• Title of publication: Coordination polymers as potential solid forms of drugs: three zinc(ii) coordination polymers of theophylline with biocompatible organic acids
• Authors of publication: Lou, Benyong; He, Fengdan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 2
• Pages of publication: 309
• a: 16.023 ± 0.002 Å
• b: 13.4229 ± 0.0016 Å
• c: 11.4932 ± 0.0019 Å
• α: 90°
• β: 103.331 ± 0.009°
• γ: 90°
• Cell volume: 2405.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0481
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No