Information card for entry 7227715

Structure parameters

• Formula: C56 H52 Mn3 N5 O20
• Calculated formula: C56 H52 Mn3 N5 O20
• Title of publication: Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties
• Authors of publication: Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 1658
• a: 20.187 ± 0.003 Å
• b: 10.5943 ± 0.0015 Å
• c: 24.296 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5196.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No