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Information card for entry 2229517
Preview
| Coordinates | 2229517.cif |
|---|---|
| Structure factors | 2229517.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-cyclohexane-1,4-dicarboxylato)bis{aqua[1-(1<i>H</i>- imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)naphthalen-2-ol]cadmium} monohydrate |
|---|---|
| Formula | C62 H53 Cd2 N8 O13 |
| Calculated formula | C62 H52 Cd2 N8 O13 |
| Title of publication | Bis(μ-cyclohexane-1,4-dicarboxylato)bis{aqua[1-(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)naphthalen-2-ol]cadmium} monohydrate |
| Authors of publication | Wang, Xiu-Yan; Ma, Shuai; He, Yu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | m325 |
| a | 9.87 ± 0.003 Å |
| b | 11.871 ± 0.004 Å |
| c | 12.459 ± 0.004 Å |
| α | 66.788 ± 0.004° |
| β | 86.066 ± 0.004° |
| γ | 87.462 ± 0.004° |
| Cell volume | 1338.2 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0308 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181216 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/95. |
2229517.cif 2229517.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229517.cif 2229517.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229517.cif 2229517.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. | 2229517.cif 2229517.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229517.cif 2229517.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2229517.cif 2229517.hkl |
| 17577 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2229517 via cif-deposit CGI script. |
2229517.cif |
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Users of the data should acknowledge the original authors of the
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