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Information card for entry 4511414
Preview
| Coordinates | 4511414.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H12 O6 P2 Zn |
|---|---|
| Calculated formula | C5 H12 O6 P2 Zn |
| Title of publication | Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families |
| Authors of publication | Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 7 |
| Pages of publication | 3612 |
| a | 8.651 ± 0.002 Å |
| b | 5.0283 ± 0.0012 Å |
| c | 22.598 ± 0.005 Å |
| α | 90° |
| β | 93.046 ± 0.003° |
| γ | 90° |
| Cell volume | 981.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179661 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/14. |
4511414.cif |
| 119043 | 2014-07-05 | cif/ Updating files of 4511411, 4511412, 4511413, 4511414, 4511415, 4511416, 4511417, 4511418, 4511419, 4511420, 4511421 Original log message: Adding full bibliography for 4511411--4511421.cif. |
4511414.cif |
| 117926 | 2014-06-21 | cif/ Adding structures of 4511411, 4511412, 4511413, 4511414, 4511415, 4511416, 4511417, 4511418, 4511419, 4511420, 4511421 via cif-deposit CGI script. |
4511414.cif |
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Users of the data should acknowledge the original authors of the
structural data.