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Information card for entry 2239781
Preview
| Coordinates | 2239781.cif |
|---|---|
| Structure factors | 2239781.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaquabis[1,5-bis(pyridin-4-yl)pentane-κ^2^<i>N</i>:<i>N</i>']cadmium] bis(perchlorate) 1,5-bis(pyridin-4-yl)pentane ethanol monosolvate] |
|---|---|
| Formula | C47 H64 Cd Cl2 N6 O11 |
| Calculated formula | C47 H64 Cd Cl2 N6 O11 |
| Title of publication | Crystal structure of a layered coordination polymer based on a 4^4^ net containing Cd^2+^ ions and 1,5-bis(pyridin-4-yl)pentane linkers |
| Authors of publication | Harrison, William T. A.; Plater, M. John; deSilva, Ben M. deSilva; Foreman, Mark R. St J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| Pages of publication | 80 - 83 |
| a | 10.0618 ± 0.0003 Å |
| b | 10.1653 ± 0.0003 Å |
| c | 27.0304 ± 0.0011 Å |
| α | 87.163 ± 0.001° |
| β | 85.001 ± 0.001° |
| γ | 66.509 ± 0.001° |
| Cell volume | 2525.6 ± 0.15 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.1499 |
| Residual factor for significantly intense reflections | 0.0908 |
| Weighted residual factors for significantly intense reflections | 0.1981 |
| Weighted residual factors for all reflections included in the refinement | 0.2206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181897 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/97. |
2239781.cif 2239781.hkl |
| 181316 | 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 2/23/97. |
2239781.cif 2239781.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. |
2239781.cif 2239781.hkl |
| 120570 | 2014-07-19 | cif/ hkl/ Adding structures of 2239781 via cif-deposit CGI script. |
2239781.cif 2239781.hkl |
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