Information card for entry 4506326

Structure parameters

• Formula: C23 H17 Cd N3 O5
• Calculated formula: C23 H17 Cd N3 O5
• Title of publication: pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers
• Authors of publication: Gu, Jinzhong; Gao, Zhuqing; Tang, Yu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 3312
• a: 16.639 ± 0.006 Å
• b: 9.887 ± 0.004 Å
• c: 13.205 ± 0.005 Å
• α: 90°
• β: 106.768 ± 0.003°
• γ: 90°
• Cell volume: 2080 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0286
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No