Information card for entry 4312346

Structure parameters

• Formula: C38 H26 F12 Fe2 N4 Ni O4
• Calculated formula: C38 H26 F12 Fe2 N4 Ni O4
• SMILES: [Ni]12([n]3cncc(c3)[c]34[cH]5[Fe]6789%10%113([cH]4[cH]6[cH]57)[cH]3[cH]%11[cH]%10[cH]9[cH]83)([n]3cncc(c3)[c]34[cH]5[Fe]6789%10%113([cH]4[cH]6[cH]57)[cH]3[cH]%11[cH]%10[cH]9[cH]83)([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O2)C(F)(F)F)C(F)(F)F
• Title of publication: Metal-Centered Ferrocene Clusters from 5-Ferrocenylpyrimidine and Ferrocenylpyrazine
• Authors of publication: Ryo Horikoshi; Chisato Nambu; Tomoyuki Mochida
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6868 - 6875
• a: 16.671 ± 0.003 Å
• b: 13.222 ± 0.002 Å
• c: 17.393 ± 0.002 Å
• α: 90°
• β: 91.749 ± 0.01°
• γ: 90°
• Cell volume: 3832 ± 1 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No