Information card for entry 4502430

Structure parameters

• Chemical name: [Zn2(L)2(BPDA)2]-2.68(H2O)
• Formula: C40 H31.36 N4 O10.68 Zn2
• Calculated formula: C40 H30 N4 O10.68 Zn2
• Title of publication: Synthesis, Crystal Structure, and Photoluminescence of a Series of Zinc(II) Coordination Polymers with 1,4-Di(1H-imidazol-4-yl)benzene and Varied Carboxylate Ligands
• Authors of publication: Chen, Shui-Sheng; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Su, Zhi; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 812
• a: 6.889 ± 0.0019 Å
• b: 23.851 ± 0.007 Å
• c: 11.606 ± 0.004 Å
• α: 90°
• β: 96.082 ± 0.013°
• γ: 90°
• Cell volume: 1896.2 ± 1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0556
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No