Information card for entry 4344454

Structure parameters

• Formula: C174 H251 Cl5 N48 O175 Tb24 Zn6
• Calculated formula: C174 H186 Cl5 N48 O175 Tb24 Zn6
• SMILES: c1ncc2C3=[O][Tb]456789[n]%10ccncc%10C(O7)=[O][Tb]7%10%11%12%13%14[O]%15[Zn]%16%17%18%19[O]%20[Tb]%21%22%23%24%25%26[O]%27[Tb]%28%29%30%31%32([n]%33c(cncc%33)C(=[O]%30)O[Tb]%30%33%34%35%36%37[O]%38[Zn]%39%40%41%42[O]%43[Tb]%44%45%46%47%48%49[O]%50[Tb]%51%52%53%54([O]%44[Tb]%44%55%56%57([n]%58c(C(=[O][Tb]%59%60%61%62%63%64[O]%65[Zn]%66%67%68([n]2c1)[O]3[Tb]123%69%70%71[O]%72[Tb]%73([O]4[Tb]4%72([O]51)([n]1c(cncc1)C(=[O][Tb]15%72%74(OC(=[O]%69)c%69cncc[n]1%69)([O]=C(c1cncc[n]%161)[O]7%19)[O]%11[Tb]17([O]%10[Tb]%10([n]%11c(C(=[O]8)O%10)cncc%11)([O]%125)([O]%721)(OC(=O)C)([O]=C(C)O%14)OC(C)=[O]7)([O]=C1c5cncc[n]5[Zn]5%15%20([O]%24C(=[O][Tb]78%27([O]%22[Tb]%10([n]%11c(cncc%11)C(O%10)=[O][Tb]%10%11%12%14([n]%15c(C(O%12)=[O]%26)cncc%15)([O]%30[Tb]%12%15([O]%34[Tb]%16([n]%19c(cncc%19)C(O%16)=[O]%32)([O]%33%10)([O]%11%12)([O]=C(C)O%37)(OC(C)=[O]%15)[OH2])([O]=C%10c%11cncc[n]%11[Zn]%11%38%43([n]%12c(C([O]%48%11)=[O]%52)cncc%12)[O]%36%10)([O]=C(C)O%14)([OH2])[OH]C)[O]=C(c%10cncc[n]%40%10)[O]%35%41)([O]%21%28)([O]%297)([O]=C(O%25)C)(OC(=[O]8)C)[OH2])([O]=C(C)O%31)([OH2])[OH]C)c7cncc[n]57)[O]%131)(OC(C)=[O]%74)([OH2])[OH2])O4)([O]=C(O%73)C)([O]=C(O%70)C)OC(=O)C)([O]62)([O]=C1c2cncc[n]2[Zn]2%65([O]31)([n]1ccncc1C([O]%632)=[O][Tb]1234([O]%59[Tb]56([n]7c(cncc7)C(=[O]%57)O6)([O]1[Tb]1([n]6ccncc6C(=[O]1)O%46)([O]%605)([O]%612)([O]=C(c1cncc[n]%661)[O]%62%68)([O]=C1c2cncc[n]2[Tb]%50([O]%45%44)([O]%51%55)(O1)(OC(=O)C)([O]=C(C)O%49)[O]=C(C)O%53)OC(C)=[O]3)([O]=C(C)O4)([O]=C(C)O%64)OC(=O)C)([OH]C)[OH2])[O]%67%71)([O]=C(C)O9)([OH]C)[OH2])O%56)cncc%58)([O]=C(c1cncc[n]%391)[O]%42%47)[O]=C(C)O%54)([OH2])[OH2])[O]=C(c1cncc[n]%171)[O]%18%23.CO.CO.CO.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O.O.O.O.CO.CO.CO.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O.O.O
• Title of publication: Nanoscale {Ln(III)24Zn(II)6} Triangular Metalloring with Magnetic Refrigerant, Slow Magnetic Relaxation, and Fluorescent Properties.
• Authors of publication: Zhang, Li; Zhao, Lang; Zhang, Peng; Wang, Chao; Yuan, Sen-Wen; Tang, Jinkui
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11535 - 11541
• a: 48.25 ± 0.004 Å
• b: 42.574 ± 0.003 Å
• c: 24.6952 ± 0.0018 Å
• α: 90°
• β: 114.097 ± 0.001°
• γ: 90°
• Cell volume: 46308 ± 6 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1482
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2551
• Weighted residual factors for all reflections included in the refinement: 0.3114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No