Information card for entry 7241755

Structure parameters

• Formula: C39 H47 Mn N6 O18
• Calculated formula: C39 H31 Mn N6 O10
• 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: 11.4113 ± 0.0014 Å
• b: 13.9536 ± 0.0016 Å
• c: 14.723 ± 0.0018 Å
• α: 105.212 ± 0.003°
• β: 92.722 ± 0.004°
• γ: 107.323 ± 0.003°
• Cell volume: 2139.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1555
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No