Information card for entry 7105910

Structure parameters

• Formula: C312 H264 Ag34 Cl4 O36 P24
• Calculated formula: C312 H264 Ag34 Cl4 O36 P24
• SMILES: c1ccc(cc1)[P]1([Ag]234[O]5=C6[O]7[Ag]82([P](c2ccccc2)(c2ccccc2)C1)[Ag]129[O]%10[Ag]%11%12%13%14[Ag]%15%16%17%18%19%20[Ag]%21%22%237[O]7[Ag]%24%25%26[O]%27[Ag]%28%29%30%31%16%21[O]6[Ag]6%16%25[O]%21[Ag]%25%32%33%30[O]%30[Ag]%34%35%36[O]%37[Ag]%38%39%40%41%28%25[Ag]%25%28%42%43%12%15[O]%12[Ag]%15%44%45[O]%46[Ag]%47%39%42([O]%39[Ag]%42%48%35[P](c%35ccccc%35)(c%35ccccc%35)C[P](c%35ccccc%35)([Ag]%35%49%42[O]%42[Ag]%50%51%52[O]%53=C([O]%11[Ag]%44%51([O]%25=C%39%42)[P](c%11ccccc%11)(c%11ccccc%11)C[P]%50(c%11ccccc%11)c%11ccccc%11)[O]%11[Ag]%14%20%31%33%41%43[O]%14=C%21[O]%20[Ag]5%16([Cl]3[Ag]35%20[O]4=C([O]%13[Ag]%145([P](c4ccccc4)(c4ccccc4)C[P]3(c3ccccc3)c3ccccc3)[Ag]34%11[O]%32=C([O]%49[Ag]%534([Cl]%35%52)[P](c4ccccc4)(c4ccccc4)C[P]3(c3ccccc3)c3ccccc3)[O]%40%48)[O]8%19)[P](c3ccccc3)(c3ccccc3)C[P]6(c3ccccc3)c3ccccc3)c3ccccc3)[O]3[Ag]456[O]([Ag]%17%22%29%38%28%47[O]8=C%46[O]%11[Ag]%13%45([O]([Ag]%142([P](c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)[Cl]%13[Ag]12%11[O]%14=C([O]%23[Ag]682[P](c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)[O]9%18)=C%10%12)[P](c1ccccc1)(c1ccccc1)C[P]%15(c1ccccc1)c1ccccc1)=C7[O]1[Ag]2%26([O]([Ag]6%36([O]([Ag]51([P](c1ccccc1)(c1ccccc1)C[P]4(c1ccccc1)c1ccccc1)[Cl]26)=C%373)[P](c1ccccc1)(c1ccccc1)C[P]%34(c1ccccc1)c1ccccc1)=C%27%30)[P](c1ccccc1)(c1ccccc1)C[P]%24(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Simultaneous self-Cassembly of a cage-Clike silver(I) complex encapsulating an Ag6 neutral cluster core and carbon dioxide fixation
• Authors of publication: Di Sun; Geng-Geng Luo; Na Zhang; Rong-Bin Huang; Lan-Sun Zheng
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1461
• a: 54.274 ± 0.006 Å
• b: 54.274 ± 0.006 Å
• c: 54.274 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 159873 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 203
• Hermann-Mauguin space group symbol: F d -3 :2
• Hall space group symbol: -F 2uv 2vw 3
• Residual factor for all reflections: 0.1782
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2328
• Goodness-of-fit parameter for all reflections included in the refinement: 0.799
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No