Information card for entry 7216789

Structure parameters

• Formula: C14 H14 Cd N2 O5
• Calculated formula: C14 H14 Cd N2 O5
• Title of publication: Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect
• Authors of publication: Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 28
• Pages of publication: 6433
• a: 7.5497 ± 0.0009 Å
• b: 8.1071 ± 0.001 Å
• c: 12.7747 ± 0.0016 Å
• α: 108.251 ± 0.002°
• β: 92.214 ± 0.002°
• γ: 100.358 ± 0.002°
• Cell volume: 726.67 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No