Information card for entry 4302706

Structure parameters

• Formula: C24 H32 Mn N10 O8
• Calculated formula: C24 H32 Mn N10 O8
• SMILES: c1cccc2c3nc(c4ccncc4)nn3[Mn]3([n]12)([OH2])([n]1ccccc1c1n3nc(c2ccncc2)n1)[OH2].O.O.O.O.O.O
• Title of publication: Porous Manganese(II) 3-(2-Pyridyl)-5-(4-Pyridyl)-1,2,4-Triazolate Frameworks: Rational Self-Assembly, Supramolecular Isomerism, Solid-State Transformation, and Sorption Properties
• Authors of publication: Jian-Bin Lin; Jie-Peng Zhang; Wei-Xiong Zhang; Wei Xue; Dong-Xu Xue; Xiao-Ming Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6652 - 6660
• a: 17.951 ± 0.006 Å
• b: 8.001 ± 0.003 Å
• c: 20.889 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3000.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No