Information card for entry 4131208

Structure parameters

• Common name: {Co12 (TC4A-SO2)3 (TDC)6 Cl3}
• Formula: C156 H144 Cl3 Co12 O60 S18
• Calculated formula: C156 H144 Cl3 Co12 O60 S18
• SMILES: c12c3cc(C(C)(C)C)cc2S2(=[O][Co]4567[O]1[Co]189%10[O]%11c%12c(S3(=[O]1)=O)cc(cc%12S1(c3c%12[O]%13[Co]%14%15%16([O]4c4c(cc(C(C)(C)C)cc24)S(=[O]%14)(c%12cc(c3)C(C)(C)C)=O)[Cl]58[Co]2%11%13(O1)[O]=C(c1sc(cc1)C1=[O][Co]3458[O]%11c%12c%13S(c%14c%17c(cc(c%14)C(C)(C)C)S%14(=[O][Co]%18%19%20([O]3%17)[O]3c%17c(cc(cc%14%17)C(C)(C)C)S%14(=[O][Co]%17%213([O]3c%22c(S(c%12cc(c%13)C(C)(C)C)(=[O][Co]%113([O]=1)([Cl]5%18%17)[O]=C(c1sc(cc1)C(=[O]%10)O2)O%21)=O)cc(cc%14%22)C(C)(C)C)[O]=C(c1sc(cc1)C1=[O][Co]235%10[Cl]%11%12[Co]%13%14%17%18[O]%21c%22c%23S%24(c%25c(c(S(c%26c%27c(S%28(c%29c(c(S(c%22cc(c%23)C(C)(C)C)(=[O]%14)=O)cc(c%29)C(C)(C)C)[O]%13[Co]%11([O]2%27)([O]=%28)([O]=C(c2sc(C(=[O]8)O%19)cc2)O%10)[O]=C(c2sc(C(O7)=[O]%16)cc2)O%18)=O)cc(c%26)C(C)(C)C)(=[O]5)=O)cc(c%25)C(C)(C)C)[O]3[Co]%12%21([O]=%24)([O]=C(c2sc(C(=[O]9)O6)cc2)O%17)O1)=O)O%20)=O)=O)(=[O]4)=O)O%15)=O)C(C)(C)C)=O
• Title of publication: Ultrafine Pt Nanoclusters Confined in a Calixarene-Based {Ni₂₄} Coordination Cage for High-Efficient Hydrogen Evolution Reaction.
• Authors of publication: Wang, Shentang; Gao, Xiaohui; Hang, Xinxin; Zhu, Xiaofei; Han, Haitao; Liao, Wuping; Chen, Wei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 50
• Pages of publication: 16236 - 16239
• a: 38.513 ± 0.008 Å
• b: 22.18 ± 0.004 Å
• c: 27.38 ± 0.006 Å
• α: 90°
• β: 102.49 ± 0.03°
• γ: 90°
• Cell volume: 22835 ± 8 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• 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: 0.103
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1826
• 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