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Information card for entry 7227973
Preview
| Coordinates | 7227973.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H24 Na2 O15 P4 Zn2 |
|---|---|
| Calculated formula | C16 H22 Na2 O15 P4 Zn2 |
| Title of publication | Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour |
| Authors of publication | Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 20.9501 ± 0.0018 Å |
| b | 5.2845 ± 0.0004 Å |
| c | 23.55 ± 0.002 Å |
| α | 90° |
| β | 93.373 ± 0.001° |
| γ | 90° |
| Cell volume | 2602.7 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194679 (current) | 2017-04-04 | cif/ Adding structures of 7227970, 7227971, 7227972, 7227973 via cif-deposit CGI script. |
7227973.cif |
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Users of the data should acknowledge the original authors of the
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