Information card for entry 7227719

Structure parameters

• Formula: C21 H13 Mn N2 O5
• Calculated formula: C21 H13 Mn N2 O5
• 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: 9.7818 ± 0.0007 Å
• b: 12.9471 ± 0.0006 Å
• c: 13.4939 ± 0.0009 Å
• α: 90°
• β: 105.008 ± 0.004°
• γ: 90°
• Cell volume: 1650.65 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No