Information card for entry 7030948

Structure parameters

• Formula: C54 H50 Mn3 N8 O20
• Calculated formula: C54 H50 Mn3 N8 O20
• Title of publication: Metal ions and solvents ratio co-regulate four new magnetic coordination polymers based upon an unsymmetric tricarboxylate acid ligand.
• Authors of publication: Li, Yuan-Pu; Chai, Ying; Yang, Guo-Ping; Miao, Hui-Hui; Cui, Lin; Wang, Yao-Yu; Shi, Qi-Zhen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 10947 - 10955
• a: 10.125 ± 0.0008 Å
• b: 10.7664 ± 0.0009 Å
• c: 13.2928 ± 0.0012 Å
• α: 86.521 ± 0.001°
• β: 73.151 ± 0.002°
• γ: 85.317 ± 0.001°
• Cell volume: 1381.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No