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Information card for entry 2018099
Preview
| Coordinates | 2018099.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | poly[[diaquatri-μ~2~-chlorido-tri-μ~3~-nicotinato- tricopper(I)gadolinium(III)] hemiydrate] |
|---|---|
| Formula | C18 H17 Cl3 Cu3 Gd N3 O8.5 |
| Calculated formula | C18 H17 Cl3 Cu3 Gd N3 O8.5 |
| Title of publication | A novel three-dimensional heterometallic coordination polymer: poly[[diaquadi-μ~3~-chlorido-μ~2~-chlorido-tri-μ~3~-nicotinato-tricopper(I)gadolinium(III)] hemihydrate] |
| Authors of publication | Wu, Shuhong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m211 - m214 |
| a | 9.5388 ± 0.0011 Å |
| b | 12.6589 ± 0.0014 Å |
| c | 21.4 ± 0.002 Å |
| α | 90° |
| β | 98.539 ± 0.001° |
| γ | 90° |
| Cell volume | 2555.4 ± 0.5 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176760 (current) | 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. |
2018099.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018099.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018099.cif |
| 22262 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018099 via cif-deposit CGI script. |
2018099.cif |
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