Information card for entry 4502780

Structure parameters

• Formula: C16 H15 Mn N O5
• Calculated formula: C16 H15 Mn N O5
• Title of publication: Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand
• Authors of publication: Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 147
• a: 7.6663 ± 0.001 Å
• b: 8.237 ± 0.001 Å
• c: 13.7367 ± 0.0017 Å
• α: 79.712 ± 0.001°
• β: 76.309 ± 0.001°
• γ: 63.431 ± 0.001°
• Cell volume: 751.14 ± 0.16 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: 0.0249
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0649
• 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