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Information card for entry 7005410
Preview
Coordinates | 7005410.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H54 Cu6 N6 O18 |
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Calculated formula | C42 H54 Cu6 N6 O18 |
SMILES | CC1=C(C(=[O][Cu]23(O1)[O](C)([Cu]14(OC(=C(C(=[O]4)C)C#N)C)[O]2(C)[Cu]2(OC(=C(C(=[O]2)C)C#N)C)[O]1C)[Cu]12(OC(=C(C(=[O]1)C)C#N)C)[O]3(C)[Cu]13(OC(=C(C(=[O]3)C)C#N)C)[O]2(C)[Cu]2(OC(=C(C(=[O]2)C)C#N)C)[O]1C)C)C#N |
Title of publication | The stepwise formation of mixed-metal coordination networks using complexes of 3-cyanoacetylacetonate. |
Authors of publication | Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Warren, John E. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 24 |
Pages of publication | 2499 - 2509 |
a | 8.603 ± 0.0001 Å |
b | 10.641 ± 0.0002 Å |
c | 14.761 ± 0.0003 Å |
α | 102.936 ± 0.001° |
β | 100.006 ± 0.001° |
γ | 104.594 ± 0.001° |
Cell volume | 1235.97 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0657 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0907 |
Weighted residual factors for all reflections included in the refinement | 0.0997 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/7005410.html
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Users of the data should acknowledge the original authors of the
structural data.