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Information card for entry 2017623
Preview
| Coordinates | 2017623.cif |
|---|---|
| Structure factors | 2017623.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) bis(perchlorate) 3.5-hydrate |
|---|---|
| Formula | C36 H31 Cd Cl2 N6 O11.5 |
| Calculated formula | C36 H31 Cd Cl2 N6 O11.5 |
| SMILES | [O-]Cl(=O)(=O)=O.O.O.O.O.c1ccc2ccc3ccc[n]4c3c2[n]1[Cd]124([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.[O-]Cl(=O)(=O)=O |
| Title of publication | Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) bis(perchlorate) 3.5-hydrate: a water chain stabilized by perchlorate anions |
| Authors of publication | Sun, Yu-Hui; Du, Zi-Yi; Zhang, Shi-Yong; He, Yan-Fang; Zhou, Zhong-Gao |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | m104 - m106 |
| a | 28.1954 ± 0.0015 Å |
| b | 19.6534 ± 0.0011 Å |
| c | 15.7245 ± 0.0009 Å |
| α | 90° |
| β | 121.348 ± 0.001° |
| γ | 90° |
| Cell volume | 7441.5 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0567 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.1089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180845 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/76. |
2017623.cif 2017623.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2017623.cif 2017623.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017623.cif 2017623.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. | 2017623.cif 2017623.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017623.cif 2017623.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2017623.cif 2017623.hkl |
| 1146 | 2010-05-03 | cif/2/ Adding CIFs from the recent Acta Cryst. B, C and J. Appl. Cryst. deposition. |
2017623.cif |
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