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Information card for entry 7203212
Preview
| Coordinates | 7203212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate |
|---|---|
| Chemical name | 1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate |
| Formula | C36 H46 Cl6 O16 P4 |
| Calculated formula | C36 H46 Cl6 O16 P4 |
| Title of publication | An adamantane-based tetraphosphonic acid that forms an open diamondoid net via a hydrogen-bonded phosphonic acid?water cluster |
| Authors of publication | Jones, Katherine M. E.; Mahmoudkhani, Amir H.; Chandler, Brett D.; Shimizu, George K. H. |
| Journal of publication | CrystEngComm |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 4 |
| Pages of publication | 303 |
| a | 12.4153 ± 0.0018 Å |
| b | 12.4153 ± 0.0018 Å |
| c | 7.3494 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1132.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 273 K |
| Number of distinct elements | 5 |
| Space group number | 81 |
| Hermann-Mauguin space group symbol | P -4 |
| Hall space group symbol | P -4 |
| Residual factor for all reflections | 0.0556 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180363 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/32. |
7203212.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203212.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203212.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203212.cif |
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Users of the data should acknowledge the original authors of the
structural data.