Information card for entry 7114223

Structure parameters

• Formula: C40 H32 Cl4 Fe2 N4 Zn2
• Calculated formula: C40 H32 Cl4 Fe2 N4 Zn2
• SMILES: c1[n]2[Zn](Cl)([n]3ccc([c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[c]5(c6cc[n](cc6)[Zn]([n]6ccc([c]78[cH]%12[cH]%13[cH]%14[cH]7[Fe]7%15%16%178%12%13%14[c]8([cH]%17[cH]%16[cH]%15[cH]78)c(cc2)c1)cc6)(Cl)Cl)[cH]4[cH]9[cH]%10[cH]%115)cc3)Cl
• Title of publication: Novel hetero-bimetallic metalla-macrocycles based on the bis-1-pyridyl ferrocene [Fe(η5-C5H4-1-C5H4N)2] ligand. Design, synthesis and structural characterization of the complexes [Fe(η5-C5H4-1-C5H4N)2](Agi)22+/(Cuii)24+/(Znii)24+
• Authors of publication: Braga, Dario; Polito, Marco; Bracaccini, Marco; D'Addario, Daniela; Tagliavini, Emilio; Proserpio, Davide M.; Grepioni, Fabrizia
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 1080
• a: 18.1586 ± 0.0008 Å
• b: 14.4554 ± 0.0006 Å
• c: 14.4458 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3791.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No