Information card for entry 7033599

Structure parameters

• Formula: C38 H34 Cl Mn2 N4 O11 P
• Calculated formula: C38 H34 Cl Mn2 N4 O11 P
• SMILES: c12ccccc1C=[N]1CC[N]3[Mn]1(O2)(Oc1ccccc1C=3)[O]=P(O[Mn]123[N](=Cc4c(O2)cccc4)CC[N]1=Cc1ccccc1O3)(O)c1ccccc1.[O-]Cl(=O)(=O)=O
• Title of publication: The O-P-O bridged Mn2(salen)2 chains showing coexistence of single chain magnet and metamagnet behaviour.
• Authors of publication: Wang, Ting-Ting; Ren, Min; Bao, Song-Song; Cai, Zhong-Sheng; Liu, Bin; Zheng, Ze-Hua; Xu, Zhong-Li; Zheng, Li-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 4271 - 4279
• a: 10.3834 ± 0.0014 Å
• b: 13.5318 ± 0.0018 Å
• c: 14.655 ± 0.002 Å
• α: 99.066 ± 0.002°
• β: 109.949 ± 0.003°
• γ: 100.997 ± 0.002°
• Cell volume: 1843.9 ± 0.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No