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Information card for entry 2018295
Preview
| Coordinates | 2018295.cif |
|---|---|
| Structure factors | 2018295.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis(1<i>H</i>- benzimidazole-2-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)nickel(II) |
|---|---|
| Formula | C30 H22 N8 Ni O4 |
| Calculated formula | C30 H22 N8 Ni O4 |
| SMILES | C1(=O)O[Ni]2([n]3c1[nH]c1ccccc31)([n]1c(C(=O)O2)[nH]c2ccccc12)([n]1c[nH]c2c1cccc2)[n]1c[nH]c2c1cccc2 |
| Title of publication | Two mononuclear octahedral complexes with benzimidazole-2-carboxylate: supramolecular networks constructed by hydrogen bonds |
| Authors of publication | Fan, Jun; Cai, Song-Liang; Zheng, Sheng-Run; Zhang, Wei-Guang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m346 - m350 |
| a | 10.321 ± 0.002 Å |
| b | 12.923 ± 0.003 Å |
| c | 11.495 ± 0.002 Å |
| α | 90° |
| β | 112.21 ± 0.03° |
| γ | 90° |
| Cell volume | 1419.4 ± 0.6 Å3 |
| 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180851 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/82. |
2018295.cif 2018295.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018295.cif 2018295.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018295.cif 2018295.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018295.cif 2018295.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2018295.cif 2018295.hkl |
| 31097 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2018294, 2018295 via cif-deposit CGI script. |
2018295.cif |
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