Information card for entry 2214093

Structure parameters

• Chemical name: (3,3'-Diamino-2,2'-bipyridine-κ^2^N,N')bis(thiocyanato-κN)copper(II)
• Formula: C12 H10 Cu N6 S2
• Calculated formula: C12 H10 Cu N6 S2
• SMILES: c1ccc(c2[n]1[Cu](N=C=S)([n]1cccc(c21)N)N=C=S)N
• Title of publication: (3,3'-Diamino-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)copper(II)
• Authors of publication: Zhang, Shi-Guo; Chen, Ju-Na; Shi, Jing-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1945 - m1945
• a: 8.8127 ± 0.0018 Å
• b: 14.991 ± 0.003 Å
• c: 10.627 ± 0.002 Å
• α: 90°
• β: 90.738 ± 0.003°
• γ: 90°
• Cell volume: 1403.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0375
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes