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Information card for entry 7011535
Preview
| Coordinates | 7011535.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H16 Cl2 Mg O9 P2 |
|---|---|
| Calculated formula | C5 H16 Cl2 Mg O9 P2 |
| 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 | 7.3862 ± 0.0007 Å |
| b | 8.3578 ± 0.0007 Å |
| c | 11.8701 ± 0.0011 Å |
| α | 94.151 ± 0.006° |
| β | 97.755 ± 0.005° |
| γ | 93.418 ± 0.007° |
| Cell volume | 722.38 ± 0.11 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0477 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.0872 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.174 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7011535.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. |
7011535.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011535.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011535.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011535.cif |
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Users of the data should acknowledge the original authors of the
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