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Information card for entry 2018125
Preview
Coordinates | 2018125.cif |
---|---|
Structure factors | 2018125.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[bis(μ~3~-trimethylsilylmethanolato)tetrakis(μ~2~- trimethylsilylmethyl)dimagnesiumdisodium] |
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Formula | C24 H66 Mg2 Na2 O2 Si6 |
Calculated formula | C24 H66 Mg2 Na2 O2 Si6 |
SMILES | [Na]12[CH2]([Si](C)(C)C)[Mg]34[O]1(C[Si](C)(C)C)[Mg]1([CH2]2[Si](C)(C)C)[O]3(C[Si](C)(C)C)[Na]([CH2]4[Si](C)(C)C)[CH2]1[Si](C)(C)C |
Title of publication | A new polymeric alkyl/alkoxide magnesium‒sodium inverse crown complex |
Authors of publication | Baillie, Sharon E.; Blair, Victoria L.; Hevia, Eva; Kennedy, Alan R. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 7 |
Pages of publication | m249 - m251 |
a | 9.8057 ± 0.0003 Å |
b | 18.1602 ± 0.0005 Å |
c | 11.8234 ± 0.0003 Å |
α | 90° |
β | 95.482 ± 0.003° |
γ | 90° |
Cell volume | 2095.8 ± 0.1 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0588 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.0949 |
Weighted residual factors for all reflections included in the refinement | 0.0995 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2018125.html
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