Information card for entry 7227717

Structure parameters

• Formula: C28 H19 Mn N3 O6
• Calculated formula: C28 H19 Mn N3 O6
• 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: 10.7524 ± 0.0005 Å
• b: 14.4645 ± 0.0005 Å
• c: 15.5968 ± 0.0005 Å
• α: 90°
• β: 100.955 ± 0.003°
• γ: 90°
• Cell volume: 2381.54 ± 0.16 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No