Information card for entry 7231398

Structure parameters

• Chemical name: catena-[(2,4,6-tri(pyridin-2-yl)-1,3,5-triazine)-(μ~5~-hydrogen benzene-1,3,5-tris(4-benzoato))]-manganese(II)-N,N'-dimethylformamide solvate]
• Formula: C48.75 H36.75 Mn N7.25 O7.25
• Calculated formula: C48.75 H36.75 Mn N7.25 O7.25
• Title of publication: Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers
• Authors of publication: Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 35
• Pages of publication: 5127
• a: 16.2604 ± 0.0006 Å
• b: 17.381 ± 0.0006 Å
• c: 30.3417 ± 0.001 Å
• α: 90°
• β: 101.28 ± 0.002°
• γ: 90°
• Cell volume: 8409.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No