Information card for entry 7102042

Structure parameters

• Formula: C228 H256 Fe4 N16 O52 Pt16
• Calculated formula: C228 H248 Fe4 N16 O52 Pt16
• SMILES: C12[c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]4(C5=[O][Pt]67%11%12[O]=C([c]%13%14[cH]%15[cH]%16[cH]%17[cH]%13[Fe]%13%18%19%20%14%15%16%17[c]%14(C%15=[O][Pt]%16%17%21%22[O]=C([c]%23%24[cH]%25[cH]%26[cH]%27[cH]%23[Fe]%23%28%29%30%24%25%26%27[c]%24(C%25=[O][Pt]%26%27%31%32[O]=C([c]%33%34[cH]%35[cH]%36[cH]%37[cH]%33[Fe]%33%38%39%40%34%35%36%37[c]%34(C%35=[O][Pt]%36%37%41(O1)[O]=C(O[Pt]1%42%37([O]=C(O[Pt]%37%43%441[N](=C(N(c1ccc(cc1)C(C)(C)C)[Pt]%36%44([O]=2)(OC(=[O]%43)C)[O]=C(C)O%41)c1ccccc1)CCC[N]%37=C(N%42c1ccc(cc1)C(C)(C)C)c1ccccc1)C)O%35)C)[cH]%33[cH]%38[cH]%39[cH]%40%34)O[Pt]12%32([N](=C(N%32CCC[N]%33=C(N(c%34ccc(cc%34)C(C)(C)C)[Pt]%34%31(O%25)([O]=C(O[Pt]2%32%33%34[O]=C(C)O1)C)OC(C)=[O]%27)c1ccccc1)c1ccccc1)c1ccc(cc1)C(C)(C)C)[O]=C(O%26)C)[cH]%23[cH]%28[cH]%29[cH]%30%24)O[Pt]12%21([N](=C(N%21CCC[N]%23=C(N(c%24ccc(cc%24)C(C)(C)C)[Pt]%24%22(O%15)([O]=C(O%16)C)OC(C)=[O][Pt]2%21%23%24OC(=[O]1)C)c1ccccc1)c1ccccc1)c1ccc(cc1)C(C)(C)C)[O]=C(C)O%17)[cH]%13[cH]%18[cH]%19[cH]%20%14)O[Pt]12%12([N](=C(N%12CCC[N]%13=C(N(c%14ccc(cc%14)C(C)(C)C)[Pt]%14%11(O5)([O]=C(O[Pt]2%12%13%14[O]=C(C)O1)C)[O]=C(C)O7)c1ccccc1)c1ccccc1)c1ccc(cc1)C(C)(C)C)[O]=C(O6)C)[cH]3[cH]8[cH]9[cH]%104.O.O.O.O
• Title of publication: Tetraplatinum precursors for supramolecular assemblies: syntheses, crystal structures, and stereoselective self-assemblies of [Pt4(micro-OCOCH3)6(kappa4-N4-DArBp)] (DArBp = 1,3-bis(arylbenzamidinate)propane).
• Authors of publication: Ohashi, Masato; Yagyu, Akihiro; Yamagata, Tsuneaki; Mashima, Kazushi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 29
• Pages of publication: 3103 - 3105
• a: 15.8027 ± 0.0014 Å
• b: 62.629 ± 0.006 Å
• c: 76.415 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 75628 ± 12 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.2413
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.3098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No