Information card for entry 2019407

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dichloridomanganese(II)]-μ-1,1-diphenyl-3,3'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diylbis(azaniumylylidene)]dibut-1-en-1-olate-κ^2^<i>O</i>:<i>O</i>']
• Formula: C26 H30 Cl2 Mn N2 O2
• Calculated formula: C26 H30 Cl2 Mn N2 O2
• SMILES: [Mn](Cl)(Cl)([O]=C(c1ccccc1)/C=C(/C)N[C@@H]1CCCC[C@H]1N/C(C)=C\C(c1ccccc1)=O)[O]=C(c1ccccc1)/C=C(/C)N[C@H]1[C@@H](CCCC1)N/C(C)=C\C(c1ccccc1)=[O][Mn](Cl)Cl
• Title of publication: A one-dimensional coordination polymer formed from the reaction of 1,1-diphenyl-3,3'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diylbis(azanediyl)]dibut-2-en-1-one with MnCl~2~·4H~2~O
• Authors of publication: Zhang, Qi-Long; Pan, Lu-Tai
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 16 - 18
• a: 10.014 ± 0.002 Å
• b: 9.758 ± 0.002 Å
• c: 13.667 ± 0.003 Å
• α: 90°
• β: 98.668 ± 0.008°
• γ: 90°
• Cell volume: 1320.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes