Information card for entry 2013909

Structure parameters

• Chemical name: poly[[(2,2'-bipyridine-κ^2^N,N')manganese(II)]-μ~3~-N-tosyl-L-glutamato- κ^4^O,O':O'':O''']
• Formula: C22 H21 Mn N3 O6 S
• Calculated formula: C22 H21 Mn N3 O6 S
• SMILES: [Mn]1234([n]5ccccc5c5cccc[n]15)[O]=C(O2)CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=[O][Mn]12([n]5ccccc5c5cccc[n]15)[O]=C(O2)CC[C@@H](C(=O)O3)NS(=O)(=O)c1ccc(C)cc1)O[Mn]12([n]3ccccc3c3cccc[n]13)[O]=C(O2)CC[C@@H](C(=O)O4)NS(=O)(=O)c1ccc(C)cc1
• Title of publication: A one-dimensional double-chain coordination polymer: [Mn(C~12~H~13~NO~6~S)(C~10~H~8~N~2~)]~<i>n~</i>
• Authors of publication: Fu-Pei Liang; Man-Sheng Chen; Rui-Xiang Hu; Zi-Lu Chen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m269 - m271
• a: 5.3131 ± 0.0006 Å
• b: 17.727 ± 0.002 Å
• c: 23.382 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2202.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes