Information card for entry 7004237

Structure parameters

• Formula: C118 H100 Ag4 Cl4 Fe4 O4 P4 S4
• Calculated formula: C118 H100 Ag4 Cl4 Fe4 O4 P4 S4
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)C(=O)[S]1[Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S](C(=O)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]8[cH]9[cH]73)[Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]([Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]([Ag]1[P](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)C(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.C(Cl)Cl.C(Cl)Cl
• Title of publication: New reagents for the synthesis of a series of ferrocenoyl functionalized copper and silver chalcogenolate complexes
• Authors of publication: MacDonald, Daniel G.; Corrigan, John F.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 37
• Pages of publication: 5048 - 5053
• a: 13.8164 ± 0.0003 Å
• b: 14.4554 ± 0.0003 Å
• c: 15.557 ± 0.0003 Å
• α: 94.993 ± 0.001°
• β: 114.451 ± 0.001°
• γ: 106.023 ± 0.001°
• Cell volume: 2645.62 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No