Information card for entry 2226651

Structure parameters

• Chemical name: Bis(ferrocenecarboxylato-κ<i>O</i>)bis(2-pyridylmethanol- κ^2^<i>N</i>,<i>O</i>)cobalt(II)
• Formula: C34 H32 Co Fe2 N2 O6
• Calculated formula: C34 H32 Co Fe2 N2 O6
• SMILES: [cH]12[cH]3[cH]4[cH]5[c]1(C(=O)O[Co]16([n]7c(cccc7)C[OH]6)([n]6c(cccc6)C[OH]1)OC(=O)[c]16[cH]7[cH]8[cH]9[cH]1[Fe]1%10%11%126789[cH]6[cH]%12[cH]%11[cH]%10[cH]16)[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12
• Title of publication: Bis(ferrocenecarboxylato-κ<i>O</i>)bis(2-pyridylmethanol-κ^2^<i>N</i>,<i>O</i>)cobalt(II)
• Authors of publication: Yu, Youzhu; Guo, Yuhua; Wang, Daqi; Li, Dacheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m753
• a: 12.579 ± 0.0012 Å
• b: 7.7905 ± 0.0009 Å
• c: 15.2975 ± 0.0015 Å
• α: 90°
• β: 90.141 ± 0.001°
• γ: 90°
• Cell volume: 1499.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes