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Information card for entry 2225554
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| Coordinates | 2225554.cif |
|---|---|
| Structure factors | 2225554.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[neodymium(III)-bis[μ-<i>N</i>- (dimorpholinophosphoryl)benzenesulfonamidato]-sodium(I)-bis[μ-<i>N</i>- (dimorpholinophosphoryl)benzenesulfonamidato]] |
|---|---|
| Formula | C56 H84 N12 Na Nd O20 P4 S4 |
| Calculated formula | C56 H84 N12 Na Nd O20 P4 S4 |
| SMILES | [Na+].O=S1(c2ccccc2)=NP(N2CCOCC2)(N2CCOCC2)=[O][Nd]234([O]=P(N=S(c5ccccc5)(O2)=O)(N2CCOCC2)N2CCOCC2)(O1)([O]=P(N=S(O3)(=O)c1ccccc1)(N1CCOCC1)N1CCOCC1)[O]=P(N=S(O4)(=O)c1ccccc1)(N1CCOCC1)N1CCOCC1 |
| Title of publication | <i>catena</i>-Poly[neodymium(III)-bis[μ-<i>N</i>-(dimorpholinophosphoryl)benzenesulfonamidato]-sodium(I)-bis[μ-<i>N</i>-(dimorpholinophosphoryl)benzenesulfonamidato]] |
| Authors of publication | Shatrava, Iuliia O.; Sliva, Tatyana Yu.; Ovchynnikov, Vladimir A.; Konovalova, Irina S.; Amirkhanov, Vladimir M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | m397 - m398 |
| a | 22.943 ± 0.005 Å |
| b | 22.943 ± 0.005 Å |
| c | 22.943 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12077 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 218 |
| Hermann-Mauguin space group symbol | P -4 3 n |
| Hall space group symbol | P -4n 2 3 |
| Residual factor for all reflections | 0.1517 |
| Residual factor for significantly intense reflections | 0.0946 |
| Weighted residual factors for significantly intense reflections | 0.1525 |
| Weighted residual factors for all reflections included in the refinement | 0.1779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.424 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181176 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/55. |
2225554.cif 2225554.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225554.cif 2225554.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225554.cif 2225554.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2225554.cif 2225554.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225554.cif 2225554.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2225554.cif 2225554.hkl |
| 1144 | 2010-05-03 | cif/2/ Adding CIFs from Acta-Cryst-E-2010_04/ deposition. |
2225554.cif |
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