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Information card for entry 7039660
Preview
Coordinates | 7039660.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H50 Cu2 Mo N16 O9 |
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Calculated formula | C38 H50 Cu2 Mo N16 O9 |
SMILES | [Mo](C#N)(C#N)(C#[N][Cu]123[n]4ccccc4C=[N]1CCC[N]2=Cc1cccc[n]31)(C#N)(C#[N][Cu]123[n]4ccccc4C=[N]1CCC[N]2=Cc1cccc[n]31)(C#N)(C#N)C#N.O.O.O.O.O.O.O.O.O |
Title of publication | Photoswitchable CuMo(IV) and CuMo(IV) cyanido-bridged molecules. |
Authors of publication | Korzeniak, Tomasz; Pinkowicz, Dawid; Nitek, Wojciech; Dańko, Tomasz; Pełka, Robert; Sieklucka, Barbara |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 42 |
Pages of publication | 16585 - 16595 |
a | 18.4995 ± 0.0003 Å |
b | 13.4598 ± 0.0001 Å |
c | 20.4476 ± 0.0003 Å |
α | 90° |
β | 113.588 ± 0.002° |
γ | 90° |
Cell volume | 4666.04 ± 0.13 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0405 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for significantly intense reflections | 0.0766 |
Weighted residual factors for all reflections included in the refinement | 0.0827 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation probe | x-ray |
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/7039660.html
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Users of the data should acknowledge the original authors of the
structural data.