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Information card for entry 2230916
Preview
Coordinates | 2230916.cif |
---|---|
Structure factors | 2230916.hkl |
Original IUCr paper | HTML |
Chemical name | <i>cis</i>-(Dimethyl sulfoxide-κ<i>O</i>)[<i>N</i>'-(3-ethoxy-2- oxidobenzylidene-κ<i>O</i>)-2-hydroxybenzohydrazidato- κ^2^<i>N</i>',<i>O</i>]dioxidomolybdenum(VI) |
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Formula | C18 H20 Mo N2 O7 S |
Calculated formula | C18 H20 Mo N2 O7 S |
SMILES | [Mo]12(OC(=N[N]2=Cc2c(O1)c(OCC)ccc2)c1ccccc1O)([O]=S(C)C)(=O)=O |
Title of publication | <i>cis</i>-(Dimethyl sulfoxide-κ<i>O</i>)[<i>N</i>'-(3-ethoxy-2-oxidobenzylidene-κ<i>O</i>)-2-hydroxybenzohydrazidato-κ^2^<i>N</i>',<i>O</i>]dioxidomolybdenum(VI) |
Authors of publication | Ngan, Ngui Khiong; Lo, Kong Mun; Richard Wong, Chee Seng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 7 |
Pages of publication | m857 |
a | 7.7527 ± 0.0001 Å |
b | 20.6173 ± 0.0004 Å |
c | 12.6506 ± 0.0002 Å |
α | 90° |
β | 100.931 ± 0.001° |
γ | 90° |
Cell volume | 1985.38 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0245 |
Residual factor for significantly intense reflections | 0.0242 |
Weighted residual factors for significantly intense reflections | 0.1191 |
Weighted residual factors for all reflections included in the refinement | 0.12 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2230916.html
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