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Information card for entry 2013620
Preview
Coordinates | 2013620.cif |
---|---|
Structure factors | 2013620.hkl |
Original IUCr paper | HTML |
Chemical name | Di-μ-cyanato-bis[(cyanato-κN)(tetramethylethylenediamine- κ^2^N,N')copper(II)] |
---|---|
Formula | C16 H32 Cu2 N8 O4 |
Calculated formula | C16 H32 Cu2 N8 O4 |
SMILES | C1[N](C)(C)[Cu](N=C=O)(N=C=O)[N](C1)(C)C |
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 | 7.656 ± 0.002 Å |
b | 8.613 ± 0.002 Å |
c | 9.671 ± 0.002 Å |
α | 78.893 ± 0.003° |
β | 71.433 ± 0.003° |
γ | 77.984 ± 0.003° |
Cell volume | 585.8 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.032 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.081 |
Weighted residual factors for all reflections included in the refinement | 0.082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2013620.html
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Users of the data should acknowledge the original authors of the
structural data.