Information card for entry 7216792

Structure parameters

• Formula: C14 H16 Mn N2 O6
• Calculated formula: C14 H16 Mn N2 O6
• 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: 10.0704 ± 0.0005 Å
• b: 10.189 ± 0.0005 Å
• c: 7.1745 ± 0.0004 Å
• α: 90°
• β: 101.797 ± 0.001°
• γ: 90°
• Cell volume: 720.61 ± 0.06 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: 0.024
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No