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Information card for entry 2019543
Preview
| Coordinates | 2019543.cif |
|---|---|
| Structure factors | 2019543.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-Poly[[aqua{bis[(pyridin-2-yl)methyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}nickel(II)]-μ-2-(2-carboxylatophenyl)aceteto-κ^2^<i>O</i>:<i>O</i>'] |
|---|---|
| Formula | C21 H21 N3 Ni O5 |
| Calculated formula | C21 H21 N3 Ni O5 |
| SMILES | [Ni]12([n]3ccccc3C[NH]1Cc1[n]2cccc1)(OC(=O)c1ccccc1CC(=O)[O-])([OH2])OC(=O)Cc1c(cccc1)C(=O)O[Ni]12([n]3ccccc3C[NH]1Cc1[n]2cccc1)[OH2] |
| Title of publication | Two nickel(II) bis[(pyridin-2-yl)methyl]amine complexes with homophthalic and benzene-1,2,4,5-tetracarboxylic acids |
| Authors of publication | Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | 541 - 546 |
| a | 18.233 ± 0.003 Å |
| b | 10.4511 ± 0.0014 Å |
| c | 20.898 ± 0.003 Å |
| α | 90° |
| β | 93.081 ± 0.002° |
| γ | 90° |
| Cell volume | 3976.5 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0622 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1193 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.434 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181865 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019543.cif 2019543.hkl |
| 180863 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/95. |
2019543.cif 2019543.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019543.cif 2019543.hkl |
| 119357 | 2014-07-05 | cif/ Updating files of 2019543, 2019544 Original log message: Adding full bibliography for 2019543--2019544.cif. |
2019543.cif 2019543.hkl |
| 113045 | 2014-05-08 | cif/ hkl/ Adding structures of 2019543, 2019544 via cif-deposit CGI script. |
2019543.cif 2019543.hkl |
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