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Information card for entry 2228501
Preview
| Coordinates | 2228501.cif |
|---|---|
| Structure factors | 2228501.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{6-methoxy-2-[(4-methylphenyl)iminiomethyl]phenolate- κ^2^<i>O</i>,<i>O</i>'}tris(nitrato-κ^2^<i>O</i>,<i>O</i>')holmium(III) monohydrate |
|---|---|
| Formula | C30 H32 Ho N5 O14 |
| Calculated formula | C30 H32 Ho N5 O14 |
| SMILES | [Ho]12345([O](c6cccc(=CNc7ccc(C)cc7)c6=[O]1)C)([O]=c1c(=CNc6ccc(C)cc6)cccc1[O]2C)(ON(=O)=[O]3)(ON(=O)=[O]5)[O]=N(=O)O4.O |
| Title of publication | Bis{6-methoxy-2-[(4-methylphenyl)iminiomethyl]phenolate-κ^2^<i>O</i>,<i>O</i>'}tris(nitrato-κ^2^<i>O</i>,<i>O</i>')holmium(III) monohydrate |
| Authors of publication | Shen, Jin-Bei; Zhao, Guo-Liang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1603 - m1604 |
| a | 9.7646 ± 0.0004 Å |
| b | 9.9813 ± 0.0004 Å |
| c | 18.4281 ± 0.0011 Å |
| α | 97.862 ± 0.003° |
| β | 101.688 ± 0.003° |
| γ | 106.27 ± 0.002° |
| Cell volume | 1652.21 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0233 |
| Residual factor for significantly intense reflections | 0.0211 |
| Weighted residual factors for significantly intense reflections | 0.0572 |
| Weighted residual factors for all reflections included in the refinement | 0.0585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181206 (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 2/22/85. |
2228501.cif 2228501.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. |
2228501.cif 2228501.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228501.cif 2228501.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. | 2228501.cif 2228501.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228501.cif 2228501.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228501.cif 2228501.hkl |
| 5793 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228492, 2228493, 2228494, 2228495, 2228496, 2228497, 2228498, 2228499, 2228500, 2228501 via cif-deposit CGI script. |
2228501.cif |
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Users of the data should acknowledge the original authors of the
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