Information card for entry 7225822

Structure parameters

• Formula: C117 H106 Cl10 Mn10 N26 O38
• Calculated formula: C117 H106 Cl10 Mn10 N26 O38
• SMILES: [Mn]1234([N]5=C(c6c(ccc(Cl)c6)O1)O[Mn]167([N]5=C(CCCC5=[N]8[Mn]9%10(OC%11c%12c(ccc(Cl)c%12)O[Mn]%12([N]8=%11)(O5)([N]5=C8CCCC%11=[N]%13[Mn]%14%15%16(OC%17c%18c(ccc(Cl)c%18)O[Mn]%18([N]%13=%17)(O%11)([N](=C(CCCC(=[N]%11[Mn]%13([N]5=C(c5c(ccc(Cl)c5)O%13)O%12)(O8)(OC(c5c(ccc(Cl)c5)O%16)=[N]%14%11)[OH2])O%15)O7)[N]1=C(c1c(ccc(Cl)c1)O6)O%18)[O]=CN(C)C)[OH2])[n]1ccccc1)([N]1=C(c5c(ccc(Cl)c5)O%10)O[Mn]567([N]8=C(c%10c(ccc(Cl)c%10)O5)O[Mn]5%10%11([N]8=C(CCCC8=[N]3[N]3[Mn]%12(O8)(Oc8c(C=3O4)cc(Cl)cc8)([N](=C(CCCC(=[N]17)O9)O%11)[N]5=C(c1c(ccc(Cl)c1)O%10)O%12)[OH2])O6)[OH2])[O]=CN(C)C)[O]=CN(C)C)O2)[O]=CN(C)C)[n]1ccccc1
• Title of publication: Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties
• Authors of publication: Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 33
• Pages of publication: 6143
• a: 20.032 ± 0.003 Å
• b: 21.9 ± 0.003 Å
• c: 27.421 ± 0.004 Å
• α: 113.261 ± 0.002°
• β: 92.344 ± 0.003°
• γ: 96.129 ± 0.002°
• Cell volume: 10943 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No