Information card for entry 8107268

Structure parameters

• Chemical name: catena-[bis(dimethylammonium) (μ-1,1'-(1,4-phenylenebis(methylene)) bis(1H-pyrazole-3,5-dicarboxylato))-di-manganese(II)]
• Formula: C22 H26 Mn N6 O8
• Calculated formula: C22 H26 Mn N6 O8
• Title of publication: Crystal structure of dimethylammonium poly[μ4-1,1′-(1,4- phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato-κ6 N,O:O′:N′,O″:O‴) manganese(II)], C22H26MnN6O8
• Authors of publication: Xia, Yu-Pei; Han, Lu-Lu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 975 - 976
• a: 11.1483 ± 0.0009 Å
• b: 10.5789 ± 0.0008 Å
• c: 11.8538 ± 0.001 Å
• α: 90°
• β: 115.883 ± 0.002°
• γ: 90°
• Cell volume: 1257.76 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No