Information card for entry 7052729

Structure parameters

• Formula: C42 H62 Cl18 Fe2 N4 Se4 Zn2
• Calculated formula: C42 H62 Cl18 Fe2 N4 Se4 Zn2
• SMILES: [Se]1[Zn]2([Se]C[c]34[cH]5[Fe]6789%10%113([cH]4[cH]7[cH]56)[cH]3[c]%11([cH]%10[cH]9[cH]83)C[Se][Zn]3([Se]C[c]45[cH]6[Fe]789%10%11%124([cH]4[cH]7[cH]8[cH]9[c]%104C1)[cH]6[cH]%11[cH]5%12)[N](CC[N]3(C)C)(C)C)[N](CC[N]2(C)C)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 17.346 ± 0.004 Å
• b: 42.44 ± 0.009 Å
• c: 12.596 ± 0.003 Å
• α: 90°
• β: 133.24 ± 0.03°
• γ: 90°
• Cell volume: 6755 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No