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Information card for entry 2240317
Preview
| Coordinates | 2240317.cif |
|---|---|
| Structure factors | 2240317.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | [3-(1<i>H</i>-Benzimidazol-2-yl)propanoato-κ<i>N</i>^3^][3-(1<i>H</i>-benzimidazol-2-yl)propanoic acid-κ<i>N</i>^3^]copper(I) |
|---|---|
| Formula | C20 H19 Cu N4 O4 |
| Calculated formula | C20 H19 Cu N4 O4 |
| Title of publication | Crystal structure of [3-(1<i>H</i>-benzimidazol-2-yl)propanoato-κ<i>N</i>^3^][3-(1<i>H</i>-benzimidazol-2-yl)propanoic acid-κ<i>N</i>^3^]copper(I) |
| Authors of publication | Liu, Zhimin; Zheng, Shengrun; Feng, Sisi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | m5 - m6 |
| a | 21.137 ± 0.005 Å |
| b | 6.4979 ± 0.0014 Å |
| c | 16.235 ± 0.004 Å |
| α | 90° |
| β | 121.949 ± 0.002° |
| γ | 90° |
| Cell volume | 1892 ± 0.8 Å3 |
| 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 | 0.0565 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240317.cif 2240317.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240317.cif 2240317.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240317.cif 2240317.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2240317.cif 2240317.hkl |
| 128749 | 2014-12-14 | cif/ hkl/ Adding structures of 2240317 via cif-deposit CGI script. |
2240317.cif 2240317.hkl |
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Users of the data should acknowledge the original authors of the
structural data.