Information card for entry 4327814

Structure parameters

• Formula: C96 H88 Br6 Co2 Fe2 N10 O16
• Calculated formula: C96 H88 Br6 Co2 Fe2 N10 O16
• SMILES: c1(cc2c(O[Co]3456[N](c7c(C[O]5[Fe]589([N](=Cc%10c(O5)ccc(c%10)Br)c5c(C[O]8[Fe]8%10%11([N](=Cc%12c(O%11)ccc(Br)c%12)c%11c(C[O]9%10)cccc%11)[O]9Cc%10c([N]%11=Cc%12c(O[Co]%13%149%11[N](c9c(C[O]8%14)cccc9)=Cc8cc(Br)ccc8O%13)ccc(Br)c%12)cccc%10)cccc5)[O]4Cc4c([N]3=Cc3c(O6)ccc(Br)c3)cccc4)cccc7)=C2)cc1)Br.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Novel Heterometallic Schiff Base Complexes Featuring Unusual Tetranuclear {CoIII2FeIII2(μ-O)6} and Octanuclear {CoIII4FeIII4(μ-O)14} Cores: Direct Synthesis, Crystal Structures, and Magnetic Properties
• Authors of publication: Eduard N. Chygorin; Oksana V. Nesterova; Julia A. Rusanova; Vladimir N. Kokozay; Volodymyr V. Bon; Roman Boča; Andrew Ozarowski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 386 - 396
• a: 11.161 ± 0.0007 Å
• b: 14.8168 ± 0.001 Å
• c: 15.928 ± 0.0011 Å
• α: 95.336 ± 0.005°
• β: 101.305 ± 0.005°
• γ: 110.023 ± 0.005°
• Cell volume: 2389.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.2435
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No