Information card for entry 7225823

Structure parameters

• Formula: C117 H106 Br10 Mn10 N26 O38
• Calculated formula: C117 H106 Br10 Mn10 N26 O38
• SMILES: [Mn]1234([N]5[N]6[Mn]78(OC=5c5c(O1)ccc(Br)c5)([N]1[N]5[Mn]9%10([N]%11[N]%12[Mn]%13%14(OC=%11c%11c(O9)ccc(Br)c%11)([N]9[N]([Mn]%11%15([N]%16[N]([Mn]%17%18([N]%19[N]([Mn]%20%21(OC=%19c%19c(O%18)ccc(Br)c%19)([N]%18[N]%19[Mn]%22%23([N]%24[N]%25[Mn]%26%27(OC=%24c%24c(O%22)ccc(Br)c%24)([N]%22[N]([Mn]%24%28([N]([N]3=C(O%24)CCCC=%25O%23)=C(O4)c3c(O%28)ccc(Br)c3)(OC=%22c3c(O%26)ccc(Br)c3)[OH2])=C(O%27)CCCC=%19O%20)[OH2])(OC=%18c3c(O%21)ccc(Br)c3)[O]=CN(C)C)[O]=CN(C)C)=C(O%17)CCCC=6O2)(OC=%16c2c(O%15)ccc(Br)c2)[n]2ccccc2)=C(O%11)CCCC=%12O%10)(OC=9c2c(O%14)ccc(Br)c2)[OH2])=C(O%13)CCCC=5O8)[OH2])(OC=1c1c(O7)ccc(Br)c1)[O]=CN(C)C)[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: 20.239 ± 0.009 Å
• b: 21.285 ± 0.009 Å
• c: 26.335 ± 0.011 Å
• α: 113.598 ± 0.006°
• β: 91.571 ± 0.007°
• γ: 95.727 ± 0.006°
• Cell volume: 10316 ± 8 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: 0.1638
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.2351
• Weighted residual factors for all reflections included in the refinement: 0.2597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No