Information card for entry 4502779

Structure parameters

• Formula: C11 H11 Mn0.5 N O2.5
• Calculated formula: C11 H11 Mn0.5 N O2.5
• 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: 13.3501 ± 0.0019 Å
• b: 18.33 ± 0.003 Å
• c: 8.5877 ± 0.0012 Å
• α: 90°
• β: 104.481 ± 0.002°
• γ: 90°
• Cell volume: 2034.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No