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Information card for entry 7206116
Preview
Coordinates | 7206116.cif |
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Original paper (by DOI) | HTML |
Common name | (4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2- amino-3-hydroxypyridine))dimolybdenum(VI) |
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Chemical name | (4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine))dimolybdenum(VI) |
Formula | C36 H28 Mo2 N6 O10 |
Calculated formula | C36 H28 Mo2 N6 O10 |
SMILES | c1ccc(OC)c2c1C=[N]1[Mo](Oc3c1nccc3)([n]1ccc(c3cc[n]([Mo]45(Oc6c(OC)cccc6C=[N]5c5c(O4)cccn5)(=O)=O)cc3)cc1)(=O)(O2)=O |
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 | 11.7871 ± 0.0006 Å |
b | 12.8269 ± 0.0007 Å |
c | 13.8071 ± 0.0006 Å |
α | 108.49 ± 0.005° |
β | 94.104 ± 0.004° |
γ | 113.811 ± 0.005° |
Cell volume | 1762.67 ± 0.19 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0719 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0983 |
Weighted residual factors for all reflections included in the refinement | 0.1045 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
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/7206116.html
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Users of the data should acknowledge the original authors of the
structural data.