Information card for entry 4312349

Structure parameters

• Formula: C38 H26 Cu F12 Fe2 N4 O4
• Calculated formula: C38 H26 Cu F12 Fe2 N4 O4
• SMILES: [Cu]12([n]3ccnc(c3)[c]34[cH]5[Fe]6789%10%113([cH]5[cH]6[cH]47)[cH]3[cH]8[cH]9[cH]%10[cH]%113)([n]3ccnc(c3)[c]34[cH]5[Fe]6789%10%113([cH]5[cH]6[cH]47)[cH]3[cH]8[cH]9[cH]%10[cH]%113)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]2)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: 11.747 ± 0.005 Å
• b: 13.238 ± 0.003 Å
• c: 6.447 ± 0.002 Å
• α: 96.47 ± 0.02°
• β: 93.04 ± 0.03°
• γ: 78.49 ± 0.02°
• Cell volume: 975.7 ± 0.6 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No