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Information card for entry 8101731
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| Coordinates | 8101731.cif |
|---|
| Chemical name | tetranitropalladato(II)tetrakis[(15-crown-5)sodium] tetranitropalladate(II) |
|---|---|
| Formula | C40 H80 N8 Na4 O36 Pd2 |
| Calculated formula | C40 H80 N8 Na4 O36 Pd2 |
| SMILES | C1C[O]2CC[O]3[Na]4562([O]2=N([Pd]7(N8=[O]([Na]9%10%11%12([O]%13CC[O]9CC[O]%10CC[O]%11CC[O]%12CC%13)[O]=N7=O)[Na]79%10%11([O]%12CC[O]7CC[O]%10CC[O]%11CC[O]9CC%12)[O]=8)N(=O)=[O][Na]789%102[O]%11CC[O]9CC[O]%10CC[O]7CC[O]8CC%11)=[O]5)[O]1CC[O]4CC[O]6CC3.N(=O)(=O)[Pd](N(=O)=O)(N(=O)=O)N(=O)=O |
| Title of publication | Crystal structure of tetranitropalladato(II)tetrakis[(15-crown-5)sodium] tetranitropalladate(II), {[Na(C~10~H~20~O~5~)]~4~Pd(NO~2~)~4~}[Pd (NO~2~)~4~] |
| Authors of publication | Y. Liu; D.-C. Li; J.-M. Dou; D.-Q. Wang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 2 |
| Pages of publication | 191 - 193 |
| a | 10.53 ± 0.004 Å |
| b | 11.955 ± 0.005 Å |
| c | 13.698 ± 0.006 Å |
| α | 85.036 ± 0.007° |
| β | 74.511 ± 0.006° |
| γ | 89.404 ± 0.007° |
| Cell volume | 1655.4 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1003 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.1384 |
| Weighted residual factors for all reflections included in the refinement | 0.1519 |
| 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 |
|---|---|---|---|
| 176728 (current) | 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. |
8101731.cif |
| 107927 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101731.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101731.cif |
| 12470 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101731 via cif-deposit CGI script. |
8101731.cif |
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Users of the data should acknowledge the original authors of the
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