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Information card for entry 8101804
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| Coordinates | 8101804.cif |
|---|
| Chemical name | dinitratobis(4-methyl-5-formyl-imidazolfuranoylhydrazone)gadolinium(III) mononitrate |
|---|---|
| Formula | C20 H20 Gd N11 O13 |
| Calculated formula | C20 H20 Gd N11 O13 |
| SMILES | [Gd]123456([O]=C(N[N]6=Cc6[n]3c[nH]c6C)c3occc3)(ON(=O)=[O]1)(ON(=O)=[O]2)[O]=C(N[N]5=Cc1[n]4c[nH]c1C)c1occc1.O=N(=O)[O-] |
| Title of publication | Crystal structure of dinitratobis(4-methyl-5-formylimidazolfuranoylhydrazone) gadolinium(III) mononitrate, [Gd{(OC(C~4~H3O)NHNCH(CH~3~)C~3~H~2~N~2~) }~2~(NO~3~)~2~][NO~3~] |
| Authors of publication | P. M. Haba; O. Diouf; M. Gaye; A. S. Sall; A. H. Barry; R. Weller; B. Chahrazed |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 401 - 402 |
| a | 8.1732 ± 0.0001 Å |
| b | 10.864 ± 0.0002 Å |
| c | 16.2532 ± 0.0003 Å |
| α | 109.03 ± 0.0008° |
| β | 94.68 ± 0.0007° |
| γ | 96.1267 ± 0.001° |
| Cell volume | 1346.07 ± 0.04 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0704 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1324 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8101804.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101804.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101804.cif |
| 12543 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101804 via cif-deposit CGI script. |
8101804.cif |
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