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Information card for entry 8102931
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| Coordinates | 8102931.cif |
|---|
| Formula | B2 Co0.25 H8 Mg0.75 O13 P2 |
|---|---|
| Calculated formula | B2 Co0.233 H8 Mg0.767 O13 P2 |
| Title of publication | Crystal structure of diaqua(magnesium,cobalt) bis(hydroxyboro)bisphosphate monohydrate, Mg~1-x~Co~x~(H~2~O)~2~[B~2~P~2~O~8~(OH)~2~] · H~2~O (x ≈ 0.25) |
| Authors of publication | Ewald, B.; Öztan, Y.; Prots, Yu.; Kniep, R. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 4 |
| Pages of publication | 535 - 536 |
| a | 7.7591 ± 0.0005 Å |
| b | 14.654 ± 0.001 Å |
| c | 8.2382 ± 0.0005 Å |
| α | 90° |
| β | 90.26 ± 0.01° |
| γ | 90° |
| Cell volume | 936.69 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 295.15 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 | 0.049 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.21 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102931.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102931.cif |
| 107934 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102931.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102931.cif |
| 13670 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102931 via cif-deposit CGI script. |
8102931.cif |
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Users of the data should acknowledge the original authors of the
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