Information card for entry 2013621

Structure parameters

• Chemical name: catena-poly[[[μ~2~-cyanato-κ^2^N:N-bis[(cyanato-κN)(1,3-diaminopropane- κ^2^N,N')copper(II)]]-μ~3~-cyanato-κ^3^N:N:O]
• Formula: C5 H10 Cu N4 O2
• Calculated formula: C5 H10 Cu N4 O2
• SMILES: C1C[NH2][Cu]2([NH2]C1)(N=C=O)[N](=C=O)[Cu]1([NH2]CCC[NH2]1)(N=C=O)[N]2=C=O
• Title of publication: Di-μ-cyanato-bis[(cyanato-κ<i>N</i>)(tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)] and <i>catena</i>-poly[[μ~3~-cyanato-κ^3^<i>O</i>:<i>N</i>:<i>N</i>-bis[(cyanato-κ<i>N</i>)(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')copper(II)]]-μ~3~-cyanato-κ^3^<i>N</i>:<i>N</i>:<i>O</i>]
• Authors of publication: Luo, Jun; Zhou, Xi-Geng; Weng, Lin-Hong; Hou, Xiu-Feng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m519 - m522
• a: 6.711 ± 0.002 Å
• b: 6.636 ± 0.002 Å
• c: 19.23 ± 0.006 Å
• α: 90°
• β: 100.049 ± 0.003°
• γ: 90°
• Cell volume: 843.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes