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Information card for entry 2235067
Preview
| Coordinates | 2235067.cif |
|---|---|
| Structure factors | 2235067.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{benzyl 2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinecarbodithioato-\ κ^2^<i>N</i>^2^,<i>S</i>}nickel(II) |
|---|---|
| Formula | C38 H42 N4 Ni O2 S4 |
| Calculated formula | C38 H42 N4 Ni O2 S4 |
| SMILES | C1(=N[N](=C(C)CCc2ccc(OC)cc2)[Ni]2(S1)[N](=C(C)CCc1ccc(OC)cc1)N=C(S2)SCc1ccccc1)SCc1ccccc1 |
| Title of publication | Bis{benzyl 2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinecarbodithioato-κ^2^<i>N</i>^2^,<i>S</i>}nickel(II) |
| Authors of publication | Tan, Ming-Yueh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m725 - m726 |
| a | 24.0691 ± 0.0006 Å |
| b | 12.5847 ± 0.0002 Å |
| c | 12.4179 ± 0.0003 Å |
| α | 90° |
| β | 101.857 ± 0.002° |
| γ | 90° |
| Cell volume | 3681.16 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0358 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181272 (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 2/23/50. |
2235067.cif 2235067.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. |
2235067.cif 2235067.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235067.cif 2235067.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. | 2235067.cif 2235067.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235067.cif 2235067.hkl |
| 61715 | 2012-07-05 | cif/ Adding structures of 2235067 via cif-deposit CGI script. |
2235067.cif |
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Users of the data should acknowledge the original authors of the
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