Information card for entry 7241757

Structure parameters

• Formula: C69 H62 Mn3 N6 O23
• Calculated formula: C66 H42 Mn3 N4 O18
• Title of publication: Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands
• Authors of publication: Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 46
• Pages of publication: 8088 - 8099
• a: 28.4052 ± 0.0019 Å
• b: 16.0847 ± 0.0012 Å
• c: 19.9257 ± 0.0012 Å
• α: 90°
• β: 133.158 ± 0.003°
• γ: 90°
• Cell volume: 6641 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1478
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No