Information card for entry 2021337

Structure parameters

• Common name: Bis(6-bromopyridine-2-carbaldehyde rhodamine 6G hydrazone)cobalt(II) bis(perchlorate)‒dichloromethane‒methanol (1/1/2)
• Chemical name: Bis{<i>N</i>-[(6-bromopyridin-2-yl)methylidene]-2-[6-ethylamino-3-(ethyliminiumyl)-2,7-dimethyl-3<i>H</i>-xanthen-9-yl]benzene-1-carbohydrazonate}cobalt(II) bis(perchlorate)‒dichloromethane ‒methanol (1/1/2)
• Formula: C67 H70 Br2 Cl4 Co N10 O14
• Calculated formula: C67 H70 Br2 Cl4 Co N10 O14
• SMILES: Brc1[n]2[Co]345(OC(=N[N]3=Cc3[n]5c(Br)ccc3)c3c(c5c6c([o+]c7c5cc(c(NCC)c7)C)cc(NCC)c(c6)C)cccc3)OC(=N[N]4=Cc2ccc1)c1c(c2c3c([o+]c4c2cc(c(NCC)c4)C)cc(NCC)c(c3)C)cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].ClCCl.OC.OC
• Title of publication: Two new cobalt(II) rhodamine 6G hydrazone complexes: structure, fluorescence and magnetism
• Authors of publication: Yuan, Juan; Wang, Xia; Zhang, Nan; Liu, Mei-Jiao; Kou, Hui-Zhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• a: 13.2358 ± 0.0005 Å
• b: 16.3228 ± 0.0005 Å
• c: 17.8925 ± 0.0005 Å
• α: 95.741 ± 0.002°
• β: 107.412 ± 0.003°
• γ: 105.197 ± 0.003°
• Cell volume: 3492 ± 0.2 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 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: 0.0764
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes