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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] |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180850 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/81. |
2018125.cif 2018125.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018125.cif 2018125.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018125.cif 2018125.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018125.cif 2018125.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018125.cif 2018125.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2018125.cif 2018125.hkl |
| 22924 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018125 via cif-deposit CGI script. |
2018125.cif |
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Users of the data should acknowledge the original authors of the
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