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Information card for entry 2208684
Preview
Coordinates | 2208684.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Bis(tetraphenylphosphonium) (cis-dioxo)bis(1-carboxybenzene-2,3-diolate-O,O')molybdenum(VI) |
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Formula | C62 H48 Mo O10 P2 |
Calculated formula | C62 H48 Mo O10 P2 |
SMILES | [Mo]12(=O)(=O)(Oc3c(cccc3O1)C(=O)O)Oc1c(cccc1O2)C(=O)O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Bis(tetraphenylphosphonium) bis(1-carboxybenzene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')-<i>cis</i>-dioxomolybdate(VI) |
Authors of publication | Litos, Charalambos; Karaliota, Alexandra; Parsons, Simon |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 4 |
Pages of publication | m928 - m930 |
a | 13.3595 ± 0.0003 Å |
b | 16.9998 ± 0.0004 Å |
c | 45.5887 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10353.6 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0697 |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for significantly intense reflections | 0.0918 |
Weighted residual factors for all reflections included in the refinement | 0.0996 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2208684.html
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