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Information card for entry 7004368
Preview
Coordinates | 7004368.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H46 Mn N5 O2 |
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Calculated formula | C32 H46 Mn N5 O2 |
SMILES | [Mn]123(Oc4c(C=[N]2CC[N]3=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C)N=N#N |
Title of publication | X-Ray crystal structures of five-coordinate (salen)MnN3 derivatives and their binding abilities towards epoxides: chemistry relevant to the epoxide‒CO2 copolymerization process |
Authors of publication | Darensbourg, Donald J.; Frantz, Eric B. |
Journal of publication | Dalton Transactions |
Year of publication | 2008 |
Journal issue | 37 |
Pages of publication | 5031 - 5036 |
a | 6.366 ± 0.006 Å |
b | 14.059 ± 0.006 Å |
c | 18.474 ± 0.007 Å |
α | 89.741 ± 0.017° |
β | 89.633 ± 0.012° |
γ | 78.682 ± 0.012° |
Cell volume | 1621.2 ± 1.8 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 90 ± 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 | 0.1036 |
Residual factor for significantly intense reflections | 0.0695 |
Weighted residual factors for significantly intense reflections | 0.1385 |
Weighted residual factors for all reflections included in the refinement | 0.1554 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/7004368.html
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