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Information card for entry 7011538
Preview
| Coordinates | 7011538.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H28 Ba2 Cl4 O16 P4 |
|---|---|
| Calculated formula | C10 H28 Ba2 Cl4 O16 P4 |
| Title of publication | A structural study of bisphosphonate metal complexes. Alkaline earth metal complexes of (dichloromethylene)bisphosphonic acid P,P'-diethyl ester |
| Authors of publication | Kontturi, Mervi; Vuokila-Laine, Eija; Peräniemi, Sirpa; Pakkanen, Tuula T.; Vepsäläinen, Jouko J.; Ahlgrén, Markku |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 9 |
| Pages of publication | 1969 |
| a | 25.0009 ± 0.001 Å |
| b | 6.949 ± 0.0004 Å |
| c | 17.3764 ± 0.0015 Å |
| α | 90° |
| β | 93.297 ± 0.004° |
| γ | 90° |
| Cell volume | 3013.8 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0799 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.351 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011538.cif |
| 189183 | 2016-12-18 | cif/7/01/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 7011536, 7011537, 7011538. |
7011538.cif |
| 179819 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/15. |
7011538.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011538.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011538.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011538.cif |
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Users of the data should acknowledge the original authors of the
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