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Information card for entry 2234842
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| Coordinates | 2234842.cif |
|---|---|
| Structure factors | 2234842.hkl |
| Original IUCr paper | HTML |
| Chemical name | Trichlorido{μ-6,6'-dimethoxy-2,2'-[cyclohexane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}dimethanolcopper(II)samarium(III) |
|---|---|
| Formula | C24 H32 Cl3 Cu N2 O6 Sm |
| Calculated formula | C24 H32 Cl3 Cu N2 O6 Sm |
| SMILES | [Sm]123([O]4[Cu]56(Cl)[N](=Cc7c(c(ccc7)[O]2C)[O]16)[C@@H]1CCCC[C@H]1[N]5=Cc1cccc(c14)[O]3C)(Cl)(Cl)([OH]C)[OH]C.[Sm]123([O]4[Cu]56(Cl)[N](=Cc7c(c(ccc7)[O]2C)[O]16)[C@H]1CCCC[C@@H]1[N]5=Cc1cccc(c14)[O]3C)(Cl)(Cl)([OH]C)[OH]C |
| Title of publication | Trichlorido{μ-6,6'-dimethoxy-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}dimethanolcopper(II)samarium(III) |
| Authors of publication | Wang, Yan; Zhang, Qian; Yan, Peng-Fei; Hou, Guang-Feng; Li, Hong-Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | m589 |
| a | 7.513 ± 0.0015 Å |
| b | 26.712 ± 0.005 Å |
| c | 14.97 ± 0.005 Å |
| α | 90° |
| β | 110.21 ± 0.03° |
| γ | 90° |
| Cell volume | 2819.3 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0439 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.0957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181270 (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 2/23/48. |
2234842.cif 2234842.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. |
2234842.cif 2234842.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234842.cif 2234842.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. | 2234842.cif 2234842.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234842.cif 2234842.hkl |
| 60348 | 2012-06-14 | cif/ Adding structures of 2234842 via cif-deposit CGI script. |
2234842.cif |
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Users of the data should acknowledge the original authors of the
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