Information card for entry 7033988

Structure parameters

• Formula: C45 H48 Br2 Co N4 O5 S4
• Calculated formula: C45 H48 Br2 Co N4 O5 S4
• SMILES: [Co]12(Oc3c(c4[n]1c(c1c(sc(c1)C)C)c([nH]4)c1c(sc(c1)C)C)cc(Br)cc3)Oc1c(c3[n]2c(c2c(sc(c2)C)C)c([nH]3)c2c(sc(c2)C)C)cc(Br)cc1.OC.OC.OC
• Title of publication: Multifunctional mononuclear bisthienylethene-cobalt(ii) complexes: structures, slow magnetic relaxation and photochromic behavior.
• Authors of publication: Cao, Deng-Ke; Wei, Ruo-Hong; Li, Xiao-Xiong; Gu, Yan-Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5755 - 5762
• a: 15.3346 ± 0.0009 Å
• b: 12.3158 ± 0.0007 Å
• c: 25.6212 ± 0.0015 Å
• α: 90°
• β: 93.427 ± 0.001°
• γ: 90°
• Cell volume: 4830.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0892
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No