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Information card for entry 7229089
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| Coordinates | 7229089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | poly[[aquacalcium(II)]-μ-~3~-(4,4?-dimethoxy-3,3?-biphenyldicarboxylato)] |
|---|---|
| Formula | C16 H14 Ca O7 |
| Calculated formula | C16 H14 Ca O7 |
| Title of publication | Ab initio structure solution and thermal stability evaluation of a new Ca(II) 3D coordination polymer using synchrotron powder X-ray diffraction data |
| Authors of publication | Lundvall, Fredrik; Wragg, David; Vajeeston, Pooniah; Dietzel, Pascal D. C.; Fjellvåg, Helmer |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 24.4632 ± 0.0017 Å |
| b | 9.9876 ± 0.0007 Å |
| c | 6.6405 ± 0.0005 Å |
| α | 90° |
| β | 93.113 ± 0.006° |
| γ | 90° |
| Cell volume | 1620.1 ± 0.2 Å3 |
| Cell temperature | 364 K |
| Ambient diffraction temperature | 364 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor R(I) for significantly intense reflections | 4.241 |
| Goodness-of-fit parameter for all reflections | 49.33 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.6954 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200390 (current) | 2017-09-09 | cif/ Adding structures of 7229089, 7229090 via cif-deposit CGI script. |
7229089.cif |
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