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Information card for entry 4302959
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| Coordinates | 4302959.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena-(bis(mu-6-thioguaninato-N,S,S)nickel(II) dihydrate) |
|---|---|
| Formula | C10 H12 N10 Ni O2 S2 |
| Calculated formula | C10 H8 N10 Ni O2 S2 |
| Title of publication | Synthesis of Designed Conductive One-Dimensional Coordination Polymers of Ni(II) with 6-Mercaptopurine and 6-Thioguanine |
| Authors of publication | Pilar Amo-Ochoa; Oscar Castillo; Simone S. Alexandre; Lorena Welte; Pedro J. de Pablo; M Isabel Rodríguez-Tapiador; Julio Gómez-Herrero; Félix Zamora |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 7931 - 7936 |
| a | 3.646 ± 0.002 Å |
| b | 9.715 ± 0.006 Å |
| c | 11.298 ± 0.006 Å |
| α | 110.28 ± 0.05° |
| β | 96.95 ± 0.04° |
| γ | 100.66 ± 0.04° |
| Cell volume | 361.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1628 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.0982 |
| Weighted residual factors for all reflections included in the refinement | 0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.695 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179067 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/29. |
4302959.cif |
| 171497 | 2015-12-14 | cod/ (antanas@echidna.ibt.lt) Removing surrounding double qoutes ('"') from the _chemical_name_systematic tag values in multiple entries. |
4302959.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4302959.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4302959.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4302959.cif |
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