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Information card for entry 4512226
Preview
| Coordinates | 4512226.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H24 Br2 N2 O8 Zn2 |
|---|---|
| Calculated formula | C47 H24 Br2 N2 O8 Zn2 |
| Title of publication | Metal‒Organic Frameworks Containing (Alkynyl)Gold Functionalities: A Comparative Evaluation of Solvent-Assisted Linker Exchange,de NovoSynthesis, and Post-synthesis Modification |
| Authors of publication | Madrahimov, Sherzod T.; Atesin, Tulay A.; Karagiaridi, Olga; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 6320 |
| a | 11.27 ± 0.003 Å |
| b | 15.803 ± 0.002 Å |
| c | 16.274 ± 0.003 Å |
| α | 90° |
| β | 97.169 ± 0.012° |
| γ | 90° |
| Cell volume | 2875.7 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 6 |
| Space group number | 10 |
| Hermann-Mauguin space group symbol | P 1 2/m 1 |
| Hall space group symbol | -P 2y |
| Residual factor for all reflections | 0.1097 |
| Residual factor for significantly intense reflections | 0.0807 |
| Weighted residual factors for significantly intense reflections | 0.2383 |
| Weighted residual factors for all reflections included in the refinement | 0.2556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179669 (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 4/51/22. |
4512226.cif |
| 131333 | 2015-02-07 | cif/ Updating files of 4512226 Original log message: Adding full bibliography for 4512226.cif. |
4512226.cif |
| 126141 | 2014-11-01 | cif/ Adding structures of 4512226 via cif-deposit CGI script. |
4512226.cif |
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Users of the data should acknowledge the original authors of the
structural data.