Information card for entry 7220508

Structure parameters

• Formula: C16 H15.5 Cu0.5 N2.5 O3
• Calculated formula: C16 H12.5 Cu0.5 N2.5 O3
• Title of publication: Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene
• Authors of publication: Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 26
• Pages of publication: 4883
• a: 12.725 ± 0.005 Å
• b: 18.008 ± 0.008 Å
• c: 13.521 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3098 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No