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Information card for entry 2234693
Preview
| Coordinates | 2234693.cif |
|---|---|
| Structure factors | 2234693.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[dodecaaqua(μ~4~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>')dicerium(III)] bis(benzene-1,4-dicarboxylate)] |
|---|---|
| Formula | C17 H22 Ce N O12 |
| Calculated formula | C17 H22 Ce N O12 |
| Title of publication | Poly[[dodecaaqua(μ~4~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')dicerium(III)] bis(benzene-1,4-dicarboxylate)] |
| Authors of publication | Kumagai, Hitoshi; Sakamoto, Yoshiyuki; Kawata, Satoshi; Inagaki, Shinji |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | m643 - m644 |
| a | 6.112 ± 0.004 Å |
| b | 14.278 ± 0.008 Å |
| c | 22.395 ± 0.012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1954 ± 2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 58 |
| Hermann-Mauguin space group symbol | P n n m |
| Hall space group symbol | -P 2 2n |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.392 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181268 (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 2/23/46. |
2234693.cif 2234693.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. |
2234693.cif 2234693.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234693.cif 2234693.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. | 2234693.cif 2234693.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234693.cif 2234693.hkl |
| 60189 | 2012-06-14 | cif/ Adding structures of 2234693 via cif-deposit CGI script. |
2234693.cif |
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Users of the data should acknowledge the original authors of the
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