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Information card for entry 4110128
Preview
| Coordinates | 4110128.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H42 Mg2 N2 O18 |
|---|---|
| Calculated formula | C30 H39 Mg2 O15 |
| Title of publication | Assembly of a Homochiral, Body-Centered Cubic Network Composed of Vertex-Shared Mg12 Cages: Use of Electrospray Ionization Mass Spectrometry to Monitor Metal Carboxylate Nucleation |
| Authors of publication | Jeffrey A. Rood; William C. Boggess; Bruce C. Noll; Kenneth W. Henderson |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 13675 - 13682 |
| a | 19.8783 ± 0.0001 Å |
| b | 19.8783 ± 0.0001 Å |
| c | 19.8783 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7854.85 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 197 |
| Hermann-Mauguin space group symbol | I 2 3 |
| Hall space group symbol | I 2 2 3 |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1686 |
| Weighted residual factors for all reflections included in the refinement | 0.1694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4110128.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110128.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110128.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110128.cif |
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Users of the data should acknowledge the original authors of the
structural data.