Information card for entry 2208383

Structure parameters

• Chemical name: catena-Poly[[bis(isothiocyanato-κN)copper(II)]bis(μ-1,1'-methylenedi-1H- imidazole-κN^3^:κN^3'^)]
• Formula: C16 H16 Cu N10 S2
• Calculated formula: C16 H16 Cu N10 S2
• SMILES: [Cu]1(N=C=S)(N=C=S)([n]2ccn(c2)Cn2cc[n](c2)[Cu](N=C=S)(N=C=S)[n]2ccn(c2)Cn2cc[n]1c2)([n]1ccn(c1)Cn1ccnc1)[n]1ccn(c1)Cn1ccnc1
• Title of publication: <i>catena</i>-Poly[[bis(isothiocyanato-κ<i>N</i>)copper(II)]bis(μ-1,1'-methylenedi-1<i>H</i>-imidazole-κ<i>N</i>^3^:κ<i>N</i>^3'^)]
• Authors of publication: Cui, Guang-Hua; Dong, Gui-Ying; Ribas Joan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m523 - m525
• a: 8.877 ± 0.003 Å
• b: 15.602 ± 0.006 Å
• c: 14.17 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1962.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes