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Information card for entry 8103103
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| Coordinates | 8103103.cif |
|---|
| Chemical name | diaqua(hydrogen 5-isonicotinamidoisophthalato) (μ~2~-5-isonicotinamidoisophthalato-κ^2^O^1^,O^3^) Praseodymium(III)]monohydrate], [Pr(C~14~H~9~O~5~N~2~)(C~14~H~8~O~5~N~2~)(H~2~O)~2~].H~2~O |
|---|---|
| Formula | C28 H23 N4 O13 Pr |
| Calculated formula | C28 H23 N4 O13 Pr |
| Title of publication | Crystal structure of diaqua(hydrogen 5-isonicotinamidoisophthalato)-(μ2-5-isonicotinamidoisophthalato-k2O1,O3)- praseodymium(III) monohydrate, Pr(H2O)2(C14H9N2O5)(C14H8O5N2) · H2O |
| Authors of publication | Dai-Zhi Kuang; Yong-Lan Feng; Jin-Sheng Xu; Zhi-Jian Zhang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 1 |
| Pages of publication | 77 |
| a | 9.6645 ± 0.0008 Å |
| b | 10.6237 ± 0.0008 Å |
| c | 15.8602 ± 0.0012 Å |
| α | 81.453 ± 0.001° |
| β | 78.763 ± 0.002° |
| γ | 64.177 ± 0.001° |
| Cell volume | 1433.95 ± 0.19 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 | 0.0352 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103103.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103103.cif |
| 29035 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103103 via cif-deposit CGI script. |
8103103.cif |
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