Information card for entry 4347468

Structure parameters

• Formula: C62 H58 Ag2 Fe2 N2 P2 S4
• Calculated formula: C62 H58 Ag2 Fe2 N2 P2 S4
• SMILES: c1(ccccc1)[P]([Ag]12[S]=C(N(C)C[c]43[cH]5[cH]6[cH]7[cH]4[Fe]489%103567[cH]3[cH]4[cH]9[cH]%10[cH]38)[S]2[Ag]2([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S]1C(N(C)C[c]13[cH]4[cH]5[cH]6[cH]1[Fe]17893456[cH]3[cH]1[cH]7[cH]8[cH]93)=[S]2)(c1ccccc1)c1ccccc1
• Title of publication: Ferrocene-Functionalized Cu(I)/Ag(I) Dithiocarbamate Clusters.
• Authors of publication: Kishore, Pilli V. V. N.; Liao, Jian-Hong; Hou, Hsing-Nan; Lin, Yan-Ru; Liu, C. W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3663 - 3673
• a: 10.1901 ± 0.0004 Å
• b: 11.0874 ± 0.0004 Å
• c: 13.3699 ± 0.0006 Å
• α: 99.72 ± 0.001°
• β: 104.811 ± 0.001°
• γ: 98.569 ± 0.001°
• Cell volume: 1409.83 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0281
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No