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Information card for entry 4505536
Preview
Coordinates | 4505536.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H12 Cu O4 |
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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 |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.