Information card for entry 7014395

Structure parameters

• Formula: C110 H84 B2 Co2 N14 O4 S4
• Calculated formula: C110 H84 B2 Co2 N14 O4 S4
• SMILES: [BH]12n3[n](c(c4ccccc4)cc3c3ccccc3)[Co]3([n]4n2c(cc4c2ccccc2)c2ccccc2)([n]2n1c(cc2c1ccccc1)c1ccccc1)([n]1ccc(C2=CS/C(S2)=C2S\C(=CS2)c2cc[n](cc2)[Co]245([n]6n([BH](n7[n]2c(c2ccccc2)cc7c2ccccc2)n2[n]4c(c4ccccc4)cc2c2ccccc2)c(cc6c2ccccc2)c2ccccc2)[O]=C(O5)C)cc1)[O]=C(O3)C
• Title of publication: Structures and physical properties of oligomeric and polymeric metal complexes based on bis(pyridyl)-substituted TTF ligands and an inorganic analogue.
• Authors of publication: Wang, Ru; Kang, Ling-Chen; Xiong, Jing; Dou, Xiao-Wei; Chen, Xiao-Yu; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 919 - 926
• a: 10.272 ± 0.007 Å
• b: 25.084 ± 0.015 Å
• c: 20.103 ± 0.01 Å
• α: 90°
• β: 116.91 ± 0.03°
• γ: 90°
• Cell volume: 4619 ± 5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• 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: 0.0959
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No