Information card for entry 4505555

Structure parameters

• Formula: C27 H18 N2 O8 Zn
• Calculated formula: C27 H18 N2 O8 Zn
• Title of publication: Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands
• Authors of publication: Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1452
• a: 10.946 ± 0.003 Å
• b: 21.049 ± 0.005 Å
• c: 10.57 ± 0.003 Å
• α: 90°
• β: 102.395 ± 0.004°
• γ: 90°
• Cell volume: 2378.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0721
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No