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Information card for entry 4083011
Preview
| Coordinates | 4083011.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H43 As4 F N O18 P V4 |
|---|---|
| Calculated formula | C50 H43 As4 F N O18 P V4 |
| SMILES | [As]12(O[V]34(O[V]5(O[As]6(O[V]7(O[V](O[As](O4)(O7)c4ccccc4)(O6)(O[As](O3)(O5)c3ccccc3)=O)(=O)O2)c2ccccc2)(=O)O1)=O)c1ccccc1.[F-].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(#N)C |
| Title of publication | Control of Bridging Ligands in [(V2O3)2(RXO3)4⊂F]−Cage Complexes: A Unique Way To Tune Their Chemical Properties |
| Authors of publication | Rabeah, Jabor; Dimitrov, Anton; Surkus, Annette-Enrica; Jiao, Haijun; Baumann, Wolfgang; Stößer, Reinhard; Radnik, Jörg; Bentrup, Ursula; Brückner, Angelika |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 18 |
| Pages of publication | 4905 |
| a | 14.6958 ± 0.0019 Å |
| b | 18.567 ± 0.002 Å |
| c | 19.811 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5405.6 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c 21 b |
| Hall space group symbol | P -2bc -2c |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0452 |
| Weighted residual factors for all reflections included in the refinement | 0.0462 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4083011.cif |
| 178719 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/30. |
4083011.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4083011.cif |
| 109370 | 2014-04-11 | cif/ Adding structures of 4083011 via cif-deposit CGI script. |
4083011.cif |
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