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Information card for entry 4502890
Preview
| Coordinates | 4502890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 N4 Ni O5 |
|---|---|
| Calculated formula | C24 H24 N4 Ni O5 |
| Title of publication | Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz)]n·nH2O, [Co(hfipbb)(bix)0.5]n, and [Co(2,6-pydc)(bix)1.5]n·4nH2O |
| Authors of publication | Tripuramallu, Bharat Kumar; Manna, Paulami; Nagaprasad Reddy, Samala; Das, Samar K. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 2 |
| Pages of publication | 777 |
| a | 8.655 ± 0.004 Å |
| b | 10.949 ± 0.006 Å |
| c | 23.799 ± 0.012 Å |
| α | 90° |
| β | 100.017 ± 0.007° |
| γ | 90° |
| Cell volume | 2220.9 ± 1.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179559 (current) | 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 4/50/28. |
4502890.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502890.cif |
| 37782 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4502889, 4502890, 4502891, 4502892, 4502893, 4502894 via cif-deposit CGI script. |
4502890.cif |
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Users of the data should acknowledge the original authors of the
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