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Information card for entry 7114368
Preview
Coordinates | 7114368.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H74 Mg2 N4 Na2 O2 |
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Calculated formula | C32 H74 Mg2 N4 Na2 O2 |
SMILES | [Mg]123[N]([Na]4[N](C(C)C)(C(C)C)[Mg]5([O]14CCCC)[N]([Na]([N]2(C(C)C)C(C)C)[O]35CCCC)(C(C)C)C(C)C)(C(C)C)C(C)C |
Title of publication | Alkoxide binding in inverse crown chemistry: rational synthesis of a series of composite alkali metal‒magnesium‒alkoxide‒diisopropylamides |
Authors of publication | Drewette, Katy J.; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E.; O’Hara, Charles T.; Rowlings, René B. |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 11 |
Pages of publication | 1176 |
a | 9.6321 ± 0.0002 Å |
b | 10.3272 ± 0.0002 Å |
c | 11.4653 ± 0.0002 Å |
α | 100.339 ± 0.001° |
β | 108.296 ± 0.001° |
γ | 108.27 ± 0.001° |
Cell volume | 978.18 ± 0.04 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.045 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.0787 |
Weighted residual factors for all reflections included in the refinement | 0.0848 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/7114368.html
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