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Information card for entry 2233313
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| Coordinates | 2233313.cif |
|---|---|
| Structure factors | 2233313.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(8-aminoquinoline-κ^2^<i>N</i>,<i>N</i>')cadmium]- di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-[(8- aminoquinoline-κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-chlorido] |
|---|---|
| Formula | C10 H8 Cd Cl N3 S |
| Calculated formula | C10 H8 Cd Cl N3 S |
| SMILES | [Cd]123([Cl][Cd]45([Cl]3)([n]3cccc6cccc([NH2]4)c36)SC#[N][Cd]3(Cl)([n]4cccc6cccc([NH2]3)c46)SC#[N]5)([n]3cccc4cccc([NH2]1)c34)SC#[N][Cd]1(Cl)([n]3cccc4cccc([NH2]1)c34)SC#[N]2 |
| Title of publication | <i>catena</i>-Poly[[(8-aminoquinoline-κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-[(8-aminoquinoline-κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-chlorido] |
| Authors of publication | Xu, Heng; Guo, Chang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m3 |
| a | 7.4965 ± 0.0006 Å |
| b | 8.6245 ± 0.0007 Å |
| c | 10.5247 ± 0.0012 Å |
| α | 106.649 ± 0.007° |
| β | 98.047 ± 0.007° |
| γ | 112.561 ± 0.005° |
| Cell volume | 577.53 ± 0.11 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 | 0.0229 |
| Residual factor for significantly intense reflections | 0.0209 |
| Weighted residual factors for significantly intense reflections | 0.0497 |
| Weighted residual factors for all reflections included in the refinement | 0.0509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181255 (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 2/23/33. |
2233313.cif 2233313.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. |
2233313.cif 2233313.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233313.cif 2233313.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. | 2233313.cif 2233313.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233313.cif 2233313.hkl |
| 32379 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233313 via cif-deposit CGI script. |
2233313.cif |
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Users of the data should acknowledge the original authors of the
structural data.