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Information card for entry 4069115
Preview
Coordinates | 4069115.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H38 Al2 Cl F72 Mo2 N2 Na O11 S4 |
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Calculated formula | C51 H38 Al2 Cl F72 Mo2 N2 Na O11 S4 |
SMILES | CC[S]1CC[NH]2CC[S](CC)[Mo]312(C#[O])C(=O)[Mo]12([Cl]3)([NH](CC[S]1CC)CC[S]2CC)C#[O].O([Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.FC(F)(F)C(O[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.[Na+].[Na+] |
Title of publication | Bis(alkylthioethyl)amine Complexes of Molybdenum |
Authors of publication | Downing, Stephen P.; Hanton, Martin J.; Slawin, Alexandra M. Z.; Tooze, Robert P. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 8 |
Pages of publication | 2417 |
a | 16.335 ± 0.003 Å |
b | 24.944 ± 0.005 Å |
c | 11.876 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4839 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 10 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.2614 |
Residual factor for significantly intense reflections | 0.1992 |
Weighted residual factors for significantly intense reflections | 0.4709 |
Weighted residual factors for all reflections included in the refinement | 0.5096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.524 |
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/4069115.html
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Users of the data should acknowledge the original authors of the
structural data.