Information card for entry 7028531

Structure parameters

• Formula: C71 H100 Cl Mn8 N27 Na2 O31
• Calculated formula: C71 H100 Cl Mn8 N27 Na2 O31
• SMILES: c12c(cccc1C=[N]1[C@@H](C[O]3[Mn]45([O]6C[C@H]([N]7=Cc8c(O[Mn]67([O]6[Mn]79([N](=Cc%10cccc(OC)c%10O7)[C@H](C)C[O]59)[N](=N#N)[Mn]136O2)N=N#N)c(OC)ccc8)C)([N](=N#N)[Mn]12([O]3C[C@H]([N]5=Cc6c(O[Mn]7835[O]([Mn]35([N]7=N#N)Oc7c(OC)cccc7C=[N]5[C@@H](C[O]23)C)[Mn]23([N]8=N#N)Oc5c(OC)cccc5C=[N]3[C@@H](C[O]12)C)c(OC)ccc6)C)[N]4=N#N)N=N#N)C)OC.OCC.CO.CCO.Cl(=O)(=O)(=O)[O-].[Na+].[Na+].O.O.O.O
• Title of publication: Chiral [NaMn(II)Mn(III)3] and [Na2Mn(II)2Mn(III)6] clusters constructed by chiral multidentate Schiff-base ligands: synthesis, structures, CD spectra and magnetic properties.
• Authors of publication: Song, Ye; Zhang, Guonan; Qin, Xiaoting; Gao, Yanfei; Ding, Shuai; Wang, Yanqin; Du, Chunfang; Liu, Zhiliang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 3880 - 3887
• a: 14.179 ± 0.003 Å
• b: 26.633 ± 0.005 Å
• c: 26.704 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10084 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0658
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No