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Information card for entry 2018637
Preview
Coordinates | 2018637.cif |
---|---|
Structure factors | 2018637.hkl |
Original IUCr paper | HTML |
Chemical name | dipotassium bis[hexaaquanickel(II)] tris(μ~2~-methylenediphosphonato)tripalladium(II) hexahydrate |
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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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