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Information card for entry 2231883
Preview
| Coordinates | 2231883.cif |
|---|---|
| Structure factors | 2231883.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexa-μ-chlorido-μ~4~-oxido-tetrakis({1-[(pyridin-2-yl)methyl]- 1<i>H</i>-benzimidazole-κ<i>N</i>^3^}copper(II)) |
|---|---|
| Formula | C52 H44 Cl6 Cu4 N12 O |
| Calculated formula | C52 H44 Cl6 Cu4 N12 O |
| SMILES | c1n(c2c(cccc2)[n]1[Cu]123[O]45[Cu]6([Cl]1)([n]1cn(c7c1cccc7)Cc1ncccc1)[Cl][Cu]4([n]4cn(c1c4cccc1)Cc1ncccc1)([Cl]3)[Cl][Cu]5([n]1cn(c3c1cccc3)Cc1ncccc1)([Cl]2)[Cl]6)Cc1ncccc1 |
| Title of publication | Hexa-μ-chlorido-μ~4~-oxido-tetrakis({1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}copper(II)) |
| Authors of publication | Li, Hui; Jiang, Hongshi; Sun, Hong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1372 |
| a | 13.8532 ± 0.0012 Å |
| b | 13.8532 ± 0.0012 Å |
| c | 14.507 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2784.1 ± 0.7 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.0623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181240 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/18. |
2231883.cif 2231883.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231883.cif 2231883.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231883.cif 2231883.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. | 2231883.cif 2231883.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2231883.cif 2231883.hkl |
| 29132 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2231883 via cif-deposit CGI script. |
2231883.cif |
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Users of the data should acknowledge the original authors of the
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