Information card for entry 7030779

Structure parameters

• Formula: C16 H11 Cd N3 O5
• Calculated formula: C16 H11 Cd N3 O5
• Title of publication: d(10) Metal complexes assembled from isomeric benzenedicarboxylates and 3-(2-pyridyl)pyrazole showing 1D chain structures: syntheses, structures and luminescent properties.
• Authors of publication: Hu, Tong-Liang; Zou, Ruo-Qiang; Li, Jian-Rong; Bu, Xian-He
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2008
• Journal issue: 10
• Pages of publication: 1302 - 1311
• a: 7.3551 ± 0.0016 Å
• b: 9.606 ± 0.002 Å
• c: 22.972 ± 0.005 Å
• α: 90°
• β: 95.222 ± 0.003°
• γ: 90°
• Cell volume: 1616.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No