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Information card for entry 2232089
Preview
| Coordinates | 2232089.cif |
|---|---|
| Structure factors | 2232089.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-Acetato-aqua-μ-(5-bromo-2-{1,3-bis[2-(5-bromo-2- oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)methanoldinickel(II) methanol disolvate monohydrate |
|---|---|
| Formula | C32 H43 Br3 N4 Ni2 O10 |
| Calculated formula | C32 H43 Br3 N4 Ni2 O10 |
| SMILES | [Ni]1234([O](C(=O)C)[Ni]567([N](CC[N]58C([N]4(CC8)CC[N]3=Cc4cc(Br)ccc4O2)c2c([O]16)ccc(Br)c2)=Cc1cc(Br)ccc1O7)[OH]C)[OH2].O.OC.OC |
| Title of publication | μ-Acetato-aqua-μ-(5-bromo-2-{1,3-bis[2-(5-bromo-2-oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)methanoldinickel(II) methanol disolvate monohydrate |
| Authors of publication | Khan, Ahmed Raza; Tesema, Yohannes; Butcher, Ray J.; Gultneh, Yilma |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1381 - m1382 |
| a | 14.7385 ± 0.0016 Å |
| b | 18.552 ± 0.002 Å |
| c | 14.2504 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3896.5 ± 0.7 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0658 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181242 (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 2/23/20. |
2232089.cif 2232089.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. |
2232089.cif 2232089.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232089.cif 2232089.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. | 2232089.cif 2232089.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232089.cif 2232089.hkl |
| 29383 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232089 via cif-deposit CGI script. |
2232089.cif |
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Users of the data should acknowledge the original authors of the
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