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Information card for entry 7015156
Preview
| Coordinates | 7015156.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H24 N6 Ni S4 |
|---|---|
| Calculated formula | C18 H24 N6 Ni S4 |
| SMILES | s1cccc1C(=[N]1N=C(S[Ni]21SC(=N[N]2=C(c1sccc1)C)NCC)NCC)C |
| Title of publication | Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes. |
| Authors of publication | Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 13 |
| Pages of publication | 3219 - 3228 |
| a | 16.0268 ± 0.0009 Å |
| b | 5.0807 ± 0.0004 Å |
| c | 14.6896 ± 0.0011 Å |
| α | 90° |
| β | 113.493 ± 0.003° |
| γ | 90° |
| Cell volume | 1096.99 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0501 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0689 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179855 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/51. |
7015156.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015156.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015156.cif |
| 21081 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015151, 7015152, 7015153, 7015154, 7015155, 7015156, 7015157, 7015158 via cif-deposit CGI script. |
7015156.cif |
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Users of the data should acknowledge the original authors of the
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