Information card for entry 2006232

Structure parameters

• Chemical name: Bis(cyanamidonitrate)bis(imidazole) copper(II) complex, C~8~H~8~N~10~O~4~Cu~1~
• Formula: C8 H8 Cu N10 O4
• Calculated formula: C8 H8 Cu N10 O4
• SMILES: c1[nH]cc[n]1[Cu](N=C=NN(=O)=O)([n]1cc[nH]c1)N=C=NN(=O)=O
• Title of publication: <i>trans</i>-Bis(cyanamidonitrato-<i>N</i>:<i>O</i>)bis(imidazole-<i>N</i>^3^)copper(II), [Cu(CN~3~O~2~)~2~(C~3~H~4~N~2~)~2~]
• Authors of publication: Kožíšek, Jozef; Jesús García Díaz; Mária Hvastijová; Lothar Jäger
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 703 - 705
• a: 6.797 ± 0.002 Å
• b: 13.558 ± 0.006 Å
• c: 7.217 ± 0.002 Å
• α: 90°
• β: 96.58 ± 0.03°
• γ: 90°
• Cell volume: 660.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.0963
• Goodness-of-fit parameter for all reflections: 0.975
• Goodness-of-fit parameter for significantly intense reflections: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No