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Information card for entry 2020778
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| Coordinates | 2020778.cif |
|---|---|
| Structure factors | 2020778.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[triaquadi-μ~3~-hydroxido-hexakis(μ~4~-2-methylbiphenyl-4,4'-dicarboxylato)calcium(II)hexazinc(II)] |
|---|---|
| Formula | C90 H68 Ca O29 Zn6 |
| Calculated formula | C90 H68 Ca O29 Zn6 |
| Title of publication | A twofold interpenetrating three-dimensional heterometallic metal‒organic framework with pcu topology based on 2-methylbiphenyl-4,4'-dicarboxylic acid |
| Authors of publication | Guo, Pei-Ying; Ma, De-Yun; Guo, Hai-Fu |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 470 - 475 |
| a | 33.1506 ± 0.0012 Å |
| b | 33.1506 ± 0.0012 Å |
| c | 16.6829 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 18333.9 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1093 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1343 |
| Weighted residual factors for all reflections included in the refinement | 0.1589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199071 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2020778 via cif-deposit CGI script. |
2020778.cif 2020778.hkl |
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Users of the data should acknowledge the original authors of the
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