Information card for entry 2219167

Structure parameters

• Chemical name: catena-Poly[manganese(II)-(μ~2~-3,5-di-2-pyridyl-1,2,4-triazolato)-μ~2~- formato]
• Formula: C13 H9 Mn N5 O2
• Calculated formula: C13 H9 Mn N5 O2
• SMILES: [Mn]123([n]4ccccc4c4n1[n]1[Mn]([n]5ccccc5c1n4)OC=[O]2)([n]1ccccc1c1n3nc(n1)c1ccccn1)OC=O
• Title of publication: <i>catena</i>-Poly[manganese(II)-(μ~2~-3,5-di-2-pyridyl-1,2,4-triazolato)-μ~2~-formato]
• Authors of publication: Zhang, Ya-Wen; Zhang, Gong; Sun, Yan-Yan; Cheng, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1073
• a: 19.124 ± 0.005 Å
• b: 19.124 ± 0.005 Å
• c: 14.912 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5454 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes