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Information card for entry 4331738
Preview
| Coordinates | 4331738.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C49 H20 F15 Mo N4 O |
|---|---|
| Calculated formula | C49 H20 F15 Mo N4 O |
| SMILES | [Mo]123(=O)n4c5ccc4C(=c4ccc(=C(c6ccc(C(=c7ccc5[n]37)c3c(F)c(F)c(F)c(F)c3F)n26)c2c(F)c(F)c(F)c(F)c2F)n14)c1c(F)c(F)c(F)c(F)c1F.c1ccccc1.c1ccccc1 |
| Title of publication | Synthesis and Full Characterization of Molybdenum and Antimony Corroles and Utilization of the Latter Complexes as Very Efficient Catalysts for Highly Selective Aerobic Oxygenation Reactions |
| Authors of publication | Luobeznova, Inna; Raizman, Marina; Goldberg, Israel; Gross, Zeev |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 1 |
| Pages of publication | 386 - 394 |
| a | 8.4738 ± 0.0001 Å |
| b | 13.6757 ± 0.0003 Å |
| c | 19.525 ± 0.0005 Å |
| α | 70.772 ± 0.0011° |
| β | 84.544 ± 0.0015° |
| γ | 72.697 ± 0.0014° |
| Cell volume | 2039.74 ± 0.08 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0571 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4331738.cif |
| 179420 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/17. |
4331738.cif |
| 97847 | 2014-01-29 | cif/ Adding structures of 4331738 via cif-deposit CGI script. |
4331738.cif |
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Users of the data should acknowledge the original authors of the
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