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Information card for entry 2019904
Preview
| Coordinates | 2019904.cif |
|---|---|
| Structure factors | 2019904.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-\ bis(μ-but-2-enoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:\ <i>O</i>,<i>O</i>-[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-μ-4,4'-(ethane-1,2-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>'] |
|---|---|
| Formula | C36 H46 Gd2 N2 O14 |
| Calculated formula | C36 H46 Gd2 N2 O14 |
| Title of publication | Three isotypic polymeric complexes with rare earth cations, but-2-enoate anions and 4,4'-(ethane-1,2-diyl)dipyridine and 4,4'-(ethene-1,2-diyl)dipyridine bridging ligands |
| Authors of publication | Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| a | 8.516 ± 0.002 Å |
| b | 10.546 ± 0.003 Å |
| c | 12.139 ± 0.003 Å |
| α | 66.473 ± 0.004° |
| β | 74.612 ± 0.005° |
| γ | 86.407 ± 0.004° |
| Cell volume | 962.6 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0189 |
| Residual factor for significantly intense reflections | 0.0183 |
| Weighted residual factors for significantly intense reflections | 0.0454 |
| Weighted residual factors for all reflections included in the refinement | 0.0458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019904.cif 2019904.hkl |
| 180867 | 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 2/01/99. |
2019904.cif 2019904.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019904.cif 2019904.hkl |
| 134089 | 2015-03-19 | cif/ hkl/ Adding structures of 2019903, 2019904, 2019905 via cif-deposit CGI script. |
2019904.cif 2019904.hkl |
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