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Information card for entry 2233824
Preview
| Coordinates | 2233824.cif |
|---|---|
| Structure factors | 2233824.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-Benzene-1,2,4,5-tetracarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^,<i>O</i>^5^- bis[diaqua(phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)] 0.67-hydrate |
|---|---|
| Formula | C34 H27.332 N4 Ni2 O12.67 |
| Calculated formula | C34 H27.3333 N4 Ni2 O12.6667 |
| Title of publication | μ-Benzene-1,2,4,5-tetracarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^,<i>O</i>^5^-bis[diaqua(phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)] 0.67-hydrate |
| Authors of publication | Zhuang, Changfu; Li, Ning; Yu, Xiao-yang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m268 - m269 |
| a | 9.855 ± 0.002 Å |
| b | 11.773 ± 0.002 Å |
| c | 21.803 ± 0.004 Å |
| α | 80.18 ± 0.03° |
| β | 78.23 ± 0.03° |
| γ | 75.27 ± 0.03° |
| Cell volume | 2376.2 ± 0.9 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 | 0.077 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1295 |
| Weighted residual factors for all reflections included in the refinement | 0.1496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181260 (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 2/23/38. |
2233824.cif 2233824.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. |
2233824.cif 2233824.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233824.cif 2233824.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. | 2233824.cif 2233824.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233824.cif 2233824.hkl |
| 51076 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233824 via cif-deposit CGI script. |
2233824.cif |
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Users of the data should acknowledge the original authors of the
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