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Information card for entry 7206114
Preview
Coordinates | 7206114.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (Imidazole)cis-dioxo(N-3-methoxysalicylidene-2-amino -3- hydroxypyridine)molybdenum(VI) acetonitrile solvate |
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Chemical name | (Imidazole)cis-dioxo(N-3-methoxysalicylidene-2-amino -3-hydroxypyridine)molybdenum(VI) acetonitrile solvate |
Formula | C18 H17 Mo N5 O5 |
Calculated formula | C18 H17 Mo N5 O5 |
SMILES | [Mo]12(=O)(=O)(Oc3c(nccc3)[N]2=Cc2c(O1)c(OC)ccc2)[n]1c[nH]cc1.N#CC |
Title of publication | Mechanosensitive metal‒ligand bonds in the design of new coordination compounds |
Authors of publication | Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 13 |
Pages of publication | 4314 |
a | 7.5668 ± 0.0003 Å |
b | 19.3973 ± 0.0007 Å |
c | 14.5305 ± 0.0006 Å |
α | 90° |
β | 116.626 ± 0.003° |
γ | 90° |
Cell volume | 1906.55 ± 0.14 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
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 | 0.072 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0552 |
Weighted residual factors for all reflections included in the refinement | 0.0615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/7206114.html
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Users of the data should acknowledge the original authors of the
structural data.