Information card for entry 7210844

Structure parameters

• Formula: C42 H29 Mn4 N9 O27
• Calculated formula: C42 H29 Mn4 N9 O27
• Title of publication: Syntheses, structures, and magnetic properties of a series of Mn-containing coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid and different N-donor ligands
• Authors of publication: Yang, Yuting; Tu, Changzheng; Cheng, Feixiang; Wang, Fan
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 35
• Pages of publication: 7121
• a: 12.273 ± 0.008 Å
• b: 13.134 ± 0.008 Å
• c: 15.83 ± 0.009 Å
• α: 95.556 ± 0.011°
• β: 94.659 ± 0.006°
• γ: 107.71 ± 0.01°
• Cell volume: 2403 ± 3 ų
• Cell temperature: 386 ± 2 K
• Ambient diffraction temperature: 386 ± 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: 0.0931
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No