Information card for entry 2224341

Structure parameters

• Chemical name: {<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[phenyl(2-pyridyl)methylene]ethane- 1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dithiocyanato- κ<i>N</i>,κ<i>S</i>-copper(II)
• Formula: C18 H19 Cu N5 S2
• Calculated formula: C18 H19 Cu N5 S2
• SMILES: [Cu]12(SC#N)(N=C=S)[n]3ccccc3C(=[N]1CC[N]2(C)C)c1ccccc1
• Title of publication: {<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[phenyl(2-pyridyl)methylene]ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dithiocyanato-κ<i>N</i>,κ<i>S</i>-copper(II)
• Authors of publication: Zhang, Xiu-Qing; Li, Chun-Ying; Bian, He-Dong; Yu, Qing; Liang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1610
• a: 7.6524 ± 0.0013 Å
• b: 9.2048 ± 0.0015 Å
• c: 27.931 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1967.4 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes