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Information card for entry 2203234
Preview
| Coordinates | 2203234.cif |
|---|---|
| Structure factors | 2203234.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-5-phenyltetrazolate-κ^2^N^2^:N^3^)bis[(2,2'-bipyridine- κ^2^N,N')bis(5-phenyltetrazolate-κN^2^)copper(II)] |
|---|---|
| Formula | C48 H36 Cu2 N20 |
| Calculated formula | C48 H36 Cu2 N20 |
| SMILES | c12c3cccc[n]3[Cu]3(n4nnc(n4)c4ccccc4)(n4nc(n[n]4[Cu]4(n5nc(n[n]35)c3ccccc3)(n3nnc(n3)c3ccccc3)[n]3ccccc3c3cccc[n]43)c3ccccc3)[n]2cccc1 |
| Title of publication | Bis(μ-5-phenyltetrazolate-κ^2^<i>N</i>^2^:<i>N</i>^3^)bis[(2,2'-bipyridine-κ^2^<i>N,N</i>')bis(5-phenyltetrazolate-κ<i>N</i>^2^)copper(II)] |
| Authors of publication | Ze-Huai, Shao; Jun, Luo; Rui-Fang, Cai; Xi-Geng, Zhou; Lin-Hong, Weng; Zhen-Xia, Chen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 2 |
| Pages of publication | m225 - m227 |
| a | 10.196 ± 0.003 Å |
| b | 10.41 ± 0.004 Å |
| c | 13.308 ± 0.005 Å |
| α | 79.46 ± 0.005° |
| β | 68.928 ± 0.004° |
| γ | 61.01 ± 0.004° |
| Cell volume | 1152.8 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.076 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180952 (current) | 2016-04-02 | hkl/2/20/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/20/32. |
2203234.cif 2203234.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2203234.cif 2203234.hkl |
| 26025 | 2011-09-16 | hkl/2/ Adding assigned Fobs files for the 1980-2010 IUCr data. |
2203234.cif 2203234.hkl |
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