Information card for entry 7208652

Structure parameters

• Formula: C20 H21 Mn N3 O6
• Calculated formula: C20 H21 Mn N3 O6
• Title of publication: Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes
• Authors of publication: Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6548
• a: 9.0247 ± 0.0018 Å
• b: 10.475 ± 0.002 Å
• c: 12.242 ± 0.002 Å
• α: 99.96 ± 0.03°
• β: 110.61 ± 0.03°
• γ: 106.37 ± 0.03°
• Cell volume: 990.4 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0703
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No