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Information card for entry 7031644
Preview
Coordinates | 7031644.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H72 Cu4 N8 O12 |
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Calculated formula | C56 H72 Cu4 N8 O12 |
SMILES | [C@@]12(C)C(=C(C(C(=C1)C)=N)C)[N]1[Cu]34([O]52[Cu]267[N](C8=C(C(C(=C[C@]8([O]86[Cu]69(OC(=CC(=[N]6C6=C(C(C(=C[C@]6([O]429)C)C)=N)C)C)C)[O]23[C@@]3(C(=C(C(C(=C3)C)=N)C)[N]3[Cu]852OC(=CC=3C)C)C)C)C)=N)C)=C(C=C(O7)C)C)OC(=CC=1C)C.O.O.O.O |
Title of publication | Novel tetranuclear copper |2 + 4| cubanes resulting from unprecedented C-O bond formation cum dearomatization. |
Authors of publication | Kumar, Amit; Pandey, Rampal; Gupta, Rakesh Kumar; Dubey, Mrigendra; Pandey, Daya Shankar |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 35 |
Pages of publication | 13169 - 13173 |
a | 25.6867 ± 0.0006 Å |
b | 9.5991 ± 0.0002 Å |
c | 25.3877 ± 0.0007 Å |
α | 90° |
β | 103.991 ± 0.002° |
γ | 90° |
Cell volume | 6074.1 ± 0.3 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0738 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.1106 |
Weighted residual factors for all reflections included in the refinement | 0.129 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/7031644.html
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Users of the data should acknowledge the original authors of the
structural data.