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Information card for entry 4505536
Preview
| Coordinates | 4505536.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H12 Cu O4 |
|---|---|
| Calculated formula | C24 H12 Cu O4 |
| Title of publication | Two Large-Pore Metal‒Organic Frameworks Derived from a Single Polytopic Strut |
| Authors of publication | Eryazici, Ibrahim; Farha, Omar K.; Hauser, Brad G.; Yazaydın, A. Özgür; Sarjeant, Amy A.; Nguyen, SonBinh T.; Hupp, Joseph T. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 3 |
| Pages of publication | 1075 |
| a | 63.515 ± 0.005 Å |
| b | 63.515 ± 0.005 Å |
| c | 63.515 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 256229 ± 3 Å3 |
| Cell temperature | 225 K |
| Ambient diffraction temperature | 225 K |
| Number of distinct elements | 4 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor for all reflections | 0.1091 |
| Residual factor for significantly intense reflections | 0.0727 |
| Weighted residual factors for significantly intense reflections | 0.1895 |
| Weighted residual factors for all reflections included in the refinement | 0.2013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.862 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4505536.cif |
| 179590 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/55. |
4505536.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4505536.cif |
| 51794 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4505536 via cif-deposit CGI script. |
4505536.cif |
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Users of the data should acknowledge the original authors of the
structural data.