Information card for entry 7241753

Structure parameters

• Formula: C78 H57 Mn3 N6 O22
• Calculated formula: C78 H48.988 Mn3 N6 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: 13.706 ± 0.003 Å
• b: 10.943 ± 0.002 Å
• c: 23.695 ± 0.005 Å
• α: 90°
• β: 106.11 ± 0.03°
• γ: 90°
• Cell volume: 3414.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No