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Information card for entry 2228703
Preview
| Coordinates | 2228703.cif |
|---|---|
| Structure factors | 2228703.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2,6-dihydroxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(nitrato- κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')praseodymium(III) |
|---|---|
| Formula | C38 H26 N5 O11 Pr |
| Calculated formula | C38 H26 N5 O11 Pr |
| SMILES | [Pr]12345([O]=C(O1)c1c(O)cccc1O)([O]=C(O2)c1c(O)cccc1O)(ON(=[O]3)=O)([n]1cccc2c1c1[n]4cccc1cc2)[n]1cccc2c1c1[n]5cccc1cc2 |
| Title of publication | Bis(2,6-dihydroxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')praseodymium(III) |
| Authors of publication | Wang, Chiya; Gu, Xiaojin; Wang, Xinqing; Jin, Hongxiao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m5 |
| a | 11.2738 ± 0.0002 Å |
| b | 26.8015 ± 0.0005 Å |
| c | 14.3886 ± 0.0004 Å |
| α | 90° |
| β | 127.934 ± 0.001° |
| γ | 90° |
| Cell volume | 3429.02 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 all reflections | 0.0379 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0737 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.234 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181208 (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 2/22/87. |
2228703.cif 2228703.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. |
2228703.cif 2228703.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228703.cif 2228703.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. | 2228703.cif 2228703.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228703.cif 2228703.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228703.cif 2228703.hkl |
| 9835 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228703 via cif-deposit CGI script. |
2228703.cif |
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Users of the data should acknowledge the original authors of the
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