Information card for entry 2204508

Structure parameters

• Chemical name: Bis(isothiocyanato-κN)bis[8-(methoxycarbonylmethoxy)quinoline-κN]copper(II)
• Formula: C26 H22 Cu N4 O6 S2
• Calculated formula: C26 H22 Cu N4 O6 S2
• SMILES: c1ccc2cccc3c2[n]1[Cu]1(N=C=S)([O]3CC(=O)OC)([n]2cccc3cccc(c23)[O]1CC(=O)OC)N=C=S
• Title of publication: Bis(isothiocyanato-κ<i>N</i>)bis[8-(methoxycarbonylmethoxy)quinoline-κ<i>N</i>]copper(II)
• Authors of publication: Song, Rui-Feng; Wang, Yu-Hong; Jiang, Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1695 - m1696
• a: 16.921 ± 0.004 Å
• b: 10.073 ± 0.002 Å
• c: 17.59 ± 0.005 Å
• α: 90°
• β: 115.647 ± 0.004°
• γ: 90°
• Cell volume: 2702.7 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes