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Information card for entry 4512093
Preview
| Coordinates | 4512093.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H28 N4 Ni O7 S |
|---|---|
| Calculated formula | C30 H28 N4 Ni O7 S |
| Title of publication | Influence of Copper(II) and Nickel(II) Ions in the Topology of Systems Based on a Flexible Bis-Oxamate and Bipyridine Building Blocks |
| Authors of publication | do Pim, Walace D.; Simões, Tatiana R. G.; Oliveira, Willian X. C.; Fernandes, Isabella R. A.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Pereira, Cynthia L. M. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 5929 |
| a | 14.253 ± 0.003 Å |
| b | 17.358 ± 0.004 Å |
| c | 24.575 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6080 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0935 |
| Residual factor for significantly intense reflections | 0.0706 |
| Weighted residual factors for significantly intense reflections | 0.168 |
| Weighted residual factors for all reflections included in the refinement | 0.1869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4512093.cif |
| 179667 | 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 4/51/20. |
4512093.cif |
| 126829 | 2014-11-11 | cif/ Updating files of 4512093, 4512094, 4512095 Original log message: Adding full bibliography for 4512093--4512095.cif. |
4512093.cif |
| 124964 | 2014-10-07 | cif/ Adding structures of 4512093 via cif-deposit CGI script. |
4512093.cif |
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