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Information card for entry 8101821
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| Coordinates | 8101821.cif |
|---|---|
| External links | PubChem |
| Chemical name | tris[bis(penthamethylene)urea]trinitrato-lanthanum(III) |
|---|---|
| Formula | C33 H60 La N9 O12 |
| Calculated formula | C33 H60 La N9 O12 |
| SMILES | [La]123([O]=C(N4CCCCC4)N4CCCCC4)([O]=C(N4CCCCC4)N4CCCCC4)([O]=C(N4CCCCC4)N4CCCCC4)(ON(=[O]1)=O)(ON(=[O]2)=O)ON(=[O]3)=O |
| Title of publication | Crystal structure of tris[bis(pentamethylene)urea]trinitrato-lanthanum (III), La(NO~3~)~3~[(C~5~H~10~N)~2~CO]~3~ |
| Authors of publication | R. Artali; G. Beretta; D. M. Arújo Melo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 457 - 459 |
| a | 10.158 ± 0.003 Å |
| b | 21.971 ± 0.005 Å |
| c | 19.301 ± 0.003 Å |
| α | 90° |
| β | 104.13 ± 0.02° |
| γ | 90° |
| Cell volume | 4177.3 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for all reflections included in the refinement | 0.1399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101821.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101821.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101821.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101821.cif |
| 12560 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101821 via cif-deposit CGI script. |
8101821.cif |
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