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Information card for entry 4506029
Preview
| Coordinates | 4506029.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H38 N2 Ni2 O10 |
|---|---|
| Calculated formula | C38 H38 N2 Ni2 O10 |
| Title of publication | Polynuclear Complexes of Ligands Containing in Situ Formed Oxazinane and Oxazolidine Rings with Appended Alkoxyl and Phenol Groups |
| Authors of publication | Ding, Caixia; Zeng, Fanhua; Ni, Jia; Wang, Bingwu; Xie, Yongshu |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 4 |
| Pages of publication | 2089 |
| a | 11.44 ± 0.0011 Å |
| b | 12.1709 ± 0.0013 Å |
| c | 13.8131 ± 0.0015 Å |
| α | 85.546 ± 0.002° |
| β | 79.749 ± 0.001° |
| γ | 65.731 ± 0.001° |
| Cell volume | 1725.3 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0967 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1526 |
| Weighted residual factors for all reflections included in the refinement | 0.1674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4506029.cif |
| 179596 | 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 4/50/60. |
4506029.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4506029.cif |
| 57477 | 2012-05-18 | cif/ Adding structures of 4506029 via cif-deposit CGI script. |
4506029.cif |
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Users of the data should acknowledge the original authors of the
structural data.