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Information card for entry 2233541
Preview
| Coordinates | 2233541.cif |
|---|---|
| Structure factors | 2233541.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ~2~-acetato-di-μ~2~-azido-di-μ~3~-methanol-tetrakis{μ-2-[(2-methyl-1- oxidopropan-2-yl)iminomethyl]-6-methoxyphenolato}tetranickel(II) methanol disolvate |
|---|---|
| Formula | C32 H52 N8 Ni4 O14 |
| Calculated formula | C32 H50 N8 Ni4 O14 |
| SMILES | c1ccc2c3c1[O](C)[Ni]1456[O]3[Ni]37([O]=C(O4)C)([N](=C2)C(C)(C)CO3)[N](=N#N)[Ni]234([O](c8cccc9c8[O]2[Ni]2([N](=C9)C(C)(C)CO2)([N]1=N#N)([O]=C(O3)C)[O]64C)C)[O]57C.OC.OC |
| Title of publication | Di-μ~2~-acetato-di-μ~2~-azido-di-μ~3~-methanol-tetrakis{μ-2-[(2-methyl-1-oxidopropan-2-yl)iminomethyl]-6-methoxyphenolato}tetranickel(II) methanol disolvate |
| Authors of publication | Tan, Shan-Yong; Chang, Fei; Gao, Yan-Peng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m150 - m151 |
| a | 9.5635 ± 0.0014 Å |
| b | 11.8971 ± 0.0016 Å |
| c | 18.845 ± 0.003 Å |
| α | 90° |
| β | 94.581 ± 0.002° |
| γ | 90° |
| Cell volume | 2137.3 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0401 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.837 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181257 (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 2/23/35. |
2233541.cif 2233541.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. |
2233541.cif 2233541.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233541.cif 2233541.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. | 2233541.cif 2233541.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233541.cif 2233541.hkl |
| 38339 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233541 via cif-deposit CGI script. |
2233541.cif |
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Users of the data should acknowledge the original authors of the
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