Information card for entry 7052728

Structure parameters

• Formula: C22 H22 Fe2 Se2
• Calculated formula: C22 H22 Fe2 Se2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C[Se][Se]C[c]12[cH]3[Fe]49%10%11%12%131([cH]3[cH]4[cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: A ferrocenylmethylselenolate complex of Ag(i): preparation of the polyferrocenyl cluster [Ag8(SeCH2Fc)8(PPh3)4] from the new silylated reagent FcCH2SeSiMe3
• Authors of publication: Ahmar, Siawash; Nitschke, Christian; Vijayaratnam, Niranjan; MacDonald, Daniel G.; Fenske, Dieter; Corrigan, John F.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2013
• a: 15.352 ± 0.001 Å
• b: 5.7588 ± 0.0003 Å
• c: 22.802 ± 0.002 Å
• α: 90°
• β: 97.678 ± 0.003°
• γ: 90°
• Cell volume: 1997.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.1215
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No