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Information card for entry 2228117
Preview
Coordinates | 2228117.cif |
---|---|
Structure factors | 2228117.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[[tetraaqua(3,5-dinitro-4-oxidopyridine <i>N</i>-oxide-κ<i>O</i>^1^)neodymium(III)]-μ-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] tetrahydrate] |
---|---|
Formula | C7 H18 N3 Nd O18 |
Calculated formula | C7 H18 N3 Nd O18 |
SMILES | [Nd]1(ON2C=C(N(=O)=O)C(=O)C(N(=O)=O)=C2)([OH2])([OH2])([OH2])([OH2])OC(=[O]2)C(=[O]1)O[Nd]12(ON2C=C(N(=O)=O)C(=O)C(N(=O)=O)=C2)([OH2])([OH2])([OH2])([OH2])OC(=O)C(O1)=O.O.O.O.O.O.O.O.O |
Title of publication | <i>catena</i>-Poly[[[tetraaqua(3,5-dinitro-4-oxidopyridine <i>N</i>-oxide-κ<i>O</i>^1^)neodymium(III)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] tetrahydrate] |
Authors of publication | Han, Yin-Feng; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 11 |
Pages of publication | m1431 - m1432 |
a | 6.7695 ± 0.0007 Å |
b | 9.9695 ± 0.0011 Å |
c | 14.6269 ± 0.0016 Å |
α | 73.719 ± 0.001° |
β | 88.137 ± 0.001° |
γ | 76.693 ± 0.001° |
Cell volume | 921.58 ± 0.17 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0198 |
Residual factor for significantly intense reflections | 0.019 |
Weighted residual factors for significantly intense reflections | 0.0491 |
Weighted residual factors for all reflections included in the refinement | 0.0497 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181202 (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 2/22/81. |
2228117.cif 2228117.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. |
2228117.cif 2228117.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228117.cif 2228117.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. | 2228117.cif 2228117.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228117.cif 2228117.hkl |
5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228117.cif 2228117.hkl |
5154 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228117 via cif-deposit CGI script. |
2228117.cif |
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