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Information card for entry 4303138
Preview
| Coordinates | 4303138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H34 N6 O4 S2 Zn2 |
|---|---|
| Calculated formula | C30 H34 N6 O4 S2 Zn2 |
| SMILES | C1=[N]2[Zn]34([N]5([C@H](O[C@@H](C5)C)c5c6c(cc(c5)C)C=[N]5[Zn]7([N]8([C@H](c9c(c1cc(c9)C)[O]37)O[C@H](C8)C)CC5)(N=C=S)[O]46)CC2)N=C=S |
| Title of publication | Metal-Assisted Oxazolidine/Oxazine Ring Formation in Dinuclear Zinc(II) Complexes: Synthesis, Structural Aspects, and Bioactivity |
| Authors of publication | Arpita Banerjee; Subhalakshmi Ganguly; Tanmay Chattopadhyay; Kazi Sabnam Banu; Amarendra Patra; Santanu Bhattacharya; Ennio Zangrando; Debasis Das |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 8695 - 8702 |
| a | 7.948 ± 0.003 Å |
| b | 10.216 ± 0.004 Å |
| c | 10.564 ± 0.004 Å |
| α | 92.84 ± 0.02° |
| β | 108.03 ± 0.03° |
| γ | 98.06 ± 0.02° |
| Cell volume | 803.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1033 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0916 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.747 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179069 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/31. |
4303138.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303138.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303138.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303138.cif |
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