Information card for entry 7033474

Structure parameters

• Formula: C50 H48 Ag2 Cl2 Fe2 N2 O8 P2 S2
• Calculated formula: C50 H48 Ag2 Cl2 Fe2 N2 O8 P2 S2
• SMILES: [Ag]12[P](c3ccccc3)([c]34[cH]5[cH]6[cH]7[Fe]89%10%11356([c]3([cH]%11[cH]%10[cH]9[cH]83)C(N(C)C)=[S]1[Ag]1[P]([c]35[cH]6[cH]8[cH]9[Fe]%10%11%12%13368([c]3([cH]%13[cH]%12[cH]%11[cH]%103)C(N(C)C)=[S]21)[cH]59)(c1ccccc1)c1ccccc1)[cH]47)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.
• Authors of publication: Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 3092 - 3108
• a: 7.909 ± 0.0002 Å
• b: 16.018 ± 0.0005 Å
• c: 19.5538 ± 0.0006 Å
• α: 90°
• β: 98.0751 ± 0.0011°
• γ: 90°
• Cell volume: 2452.64 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No