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Information card for entry 2239769
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| Coordinates | 2239769.cif |
|---|---|
| Structure factors | 2239769.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Poly[[tri-μ-aqua-dodecaaquatris(μ~3~-1-hydroxyethylidene-1,1-diphosphonato)tricalcium(II)tripalladium(II)] pentahydrate], |
|---|---|
| Formula | C2 H15.667 Ca O13.667 P2 Pd |
| Calculated formula | C2 H14.5 Ca O13.6667 P2 Pd |
| Title of publication | Poly[[tri-μ-aqua-dodecaaquatris(μ~3~-1-hydroxyethylidene-1,1-diphosphonato)tricalcium(II)tripalladium(II)] pentahydrate] |
| Authors of publication | Kutsenko, Irina P.; Kozachkova, Alexandra N.; Tsaryk, Natalia V.; Pekhnyo, Vasily I.; Rusanova, Julia A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| Pages of publication | m291 - m292 |
| a | 15.9731 ± 0.0003 Å |
| b | 15.9731 ± 0.0003 Å |
| c | 18.4149 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4068.91 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 192 |
| Hermann-Mauguin space group symbol | P 6/m c c |
| Hall space group symbol | -P 6 2c |
| Residual factor for all reflections | 0.0457 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0647 |
| Weighted residual factors for all reflections included in the refinement | 0.0713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181897 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/97. |
2239769.cif 2239769.hkl |
| 181316 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/97. |
2239769.cif 2239769.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239769.cif 2239769.hkl |
| 120020 | 2014-07-11 | cif/ hkl/ Adding structures of 2239769 via cif-deposit CGI script. |
2239769.cif 2239769.hkl |
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