Information card for entry 4074532

Structure parameters

• Formula: C145 H127 Ag8 Cl3 Cu6 Fe12 O9
• Calculated formula: C145 H110 Ag8 Cl3 Cu6 Fe12 O9
• SMILES: [Ag]12345[Cu]6789[Ag]%10%11%12%13%14[Cu]%15%16%17%18[Ag]%19%20%21%22[Cu]%23%24%25%26[Ag]%27%28%29%30[Cu]%31%321([Ag]1%33%34%35%366([Ag]6%377%16([Cu]%19%271([C]%21%29#C[c]17[cH]%16[Fe]%19%21%27%29%38%391([cH]7[cH]%19[cH]%16%21)[cH]1[cH]%27[cH]%29[cH]%38[cH]%391)[C]%336#[C]%34%37[c]16[Fe]7%16%19%21%27%29%33([cH]1[cH]7[cH]%16[cH]6%19)[cH]1[cH]%21[cH]%27[cH]%29[cH]%331)([C]%17%22#C[c]16[Fe]7%16%17%19%21%22%27([cH]1[cH]7[cH]%16[cH]6%17)[cH]1[cH]%19[cH]%21[cH]%22[cH]%271)[C]9%11#C[c]16[Fe]79%11%16%17%19%21([cH]1[cH]7[cH]9[cH]6%11)[cH]1[cH]%16[cH]%17[cH]%19[cH]%211)([C]%30%31#[C]%35[c]16[cH]7[Fe]9%11%16%17%19%211([cH]7[cH]9[cH]6%11)[cH]1[cH]%21[cH]%19[cH]%17[cH]%161)[C]38#[C]%36[c]13[cH]6[Fe]789%11%16%171([cH]6[cH]7[cH]38)[cH]1[cH]%17[cH]%16[cH]%11[cH]91)[Ag]13%24([Cu]62%10([Ag]2%15%23([C]16#[C]3[c]13[cH]6[Fe]789%10%11%151([cH]6[cH]7[cH]38)[cH]1[cH]9[cH]%10[cH]%11[cH]%151)([C]%20%26#[C]2[c]12[cH]3[Fe]6789%10%111([cH]2[cH]6[cH]37)[cH]1[cH]8[cH]9[cH]%10[cH]%111)[C]%13%18#[C]%14[c]12[cH]3[Fe]6789%10%111([cH]2[cH]6[cH]37)[cH]1[cH]8[cH]9[cH]%10[cH]%111)[C]5%12#C[c]12[cH]3[Fe]56789%101([cH]2[cH]5[cH]36)[cH]1[cH]7[cH]8[cH]9[cH]%101)([C]%25%28#C[c]12[cH]3[Fe]56789%101([cH]3[cH]5[cH]26)[cH]1[cH]7[cH]8[cH]9[cH]%101)[C]4%32#C[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91.[Cl-].C(Cl)Cl.O.O.O.O.O.O.O.O.O
• Title of publication: Rhombic Dodecahedral Ag8M6(M = Cu, Ag, Au) Cluster Complexes of Ferrocenylethynyl Prepared by Reaction of (AgC⋮CFc)nwith [M2(Ph2PNHPh2)2(MeCN)2]2+(M = Cu, Ag, Au)
• Authors of publication: Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 4941
• a: 16.261 ± 0.005 Å
• b: 18.153 ± 0.007 Å
• c: 27.627 ± 0.009 Å
• α: 87.95 ± 0.011°
• β: 75.424 ± 0.01°
• γ: 74.763 ± 0.007°
• Cell volume: 7611 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2629
• Weighted residual factors for all reflections included in the refinement: 0.3029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No