Information card for entry 7227718

Structure parameters

• Formula: C22 H21 Mn N2 O8
• Calculated formula: C22 H21 Mn N2 O8
• 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: 10.088 ± 0.003 Å
• b: 10.16 ± 0.003 Å
• c: 13.027 ± 0.004 Å
• α: 97.791 ± 0.002°
• β: 106.85 ± 0.003°
• γ: 114.222 ± 0.003°
• Cell volume: 1114.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No