Information card for entry 7224768

Structure parameters

• Chemical name: Fc8Cu
• Formula: C54 H62 Cu Fe2 O6
• Calculated formula: C54 H62 Cu Fe2 O6
• SMILES: [Cu]12(OC(=CC(=[O]1)c1ccc(OCCCCCCCC)cc1)[c]13[cH]4[Fe]56789%101([cH]3[cH]5[cH]46)[cH]1[cH]9[cH]%10[cH]8[cH]71)OC(=CC(=[O]2)c1ccc(OCCCCCCCC)cc1)[c]12[Fe]3456789([cH]1[cH]5[cH]4[cH]23)[cH]1[cH]6[cH]8[cH]7[cH]91
• Title of publication: Ferrocene and [3]ferrocenophane-based β-diketonato copper(II) and zinc(II) complexes: Synthesis, crystal structure, electrochemistry and catalytic effect on thermal decomposition of ammonium perchlorate
• Authors of publication: Zhao, Haiying; Zhu, Xueyou; Shang, Yadong; Chen, Shufeng; Li, Baoguo; Bian, Zhanxi
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 21.4 ± 0.004 Å
• b: 9.7 ± 0.0019 Å
• c: 25.9 ± 0.005 Å
• α: 90°
• β: 99 ± 0.03°
• γ: 90°
• Cell volume: 5310.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1398
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2528
• Weighted residual factors for all reflections included in the refinement: 0.2809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No