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Information card for entry 2018637
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| Coordinates | 2018637.cif |
|---|---|
| Structure factors | 2018637.hkl |
| Original IUCr paper | HTML |
| Chemical name | dipotassium bis[hexaaquanickel(II)] tris(μ~2~-methylenediphosphonato)tripalladium(II) hexahydrate |
|---|---|
| Formula | C3 H42 K2 Ni2 O36 P6 Pd3 |
| Calculated formula | C3 H35.386 K2 Ni2 O36 P6 Pd3 |
| Title of publication | Binary salt of a palladium(II) complex with (phosphonomethyl)phosphonic (medronic) acid comprising `handbell-like' [Pd{μ-CH~2~(PO~3~)~2~}]~3~ units |
| Authors of publication | Babaryk, Artem A.; Kozachkova, Alexandra N.; Tsaryk, Natalia V.; Dudko, Anatolij V.; Pekhnyo, Vasily I. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | m242 - m245 |
| a | 23.6234 ± 0.0011 Å |
| b | 12.5467 ± 0.0006 Å |
| c | 16.0458 ± 0.0007 Å |
| α | 90° |
| β | 128.934 ± 0.002° |
| γ | 90° |
| Cell volume | 3699.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0243 |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for significantly intense reflections | 0.051 |
| Weighted residual factors for all reflections included in the refinement | 0.0521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180855 (current) | 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 2/01/86. |
2018637.cif 2018637.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. |
2018637.cif 2018637.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018637.cif 2018637.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. | 2018637.cif 2018637.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018637.cif 2018637.hkl |
| 69991 | 2012-12-21 | cif/ Adding structures of 2018637 via cif-deposit CGI script. |
2018637.cif |
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Users of the data should acknowledge the original authors of the
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