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Information card for entry 7034466
Preview
| Coordinates | 7034466.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [{[(t-BuC6H4)3CCONH](n-BuCONH)C6H3COO}2Mg(EtOH)4]-4(EtOH) |
|---|---|
| Formula | C104 H154 Mg N4 O16 |
| Calculated formula | C104 H154 Mg N4 O16 |
| SMILES | C(=O)(c1c(NC(=O)C(c2ccc(cc2)C(C)(C)C)(c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(C)(C)C)cccc1NC(=O)CCCC)O[Mg]([OH]CC)([OH]CC)([OH]CC)([OH]CC)OC(=O)c1c(NC(=O)C(c2ccc(cc2)C(C)(C)C)(c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(C)(C)C)cccc1NC(=O)CCCC.OCC.OCC.OCC.OCC |
| Title of publication | Synthesis and structures of soluble magnesium and zinc carboxylates containing intramolecular NHO hydrogen bonds in nonpolar solvents. |
| Authors of publication | Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 16 |
| Pages of publication | 7512 - 7523 |
| a | 28.1365 ± 0.001 Å |
| b | 11.8861 ± 0.0004 Å |
| c | 31.198 ± 0.002 Å |
| α | 90° |
| β | 102.064 ± 0.007° |
| γ | 90° |
| Cell volume | 10203.2 ± 0.9 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1081 |
| Residual factor for significantly intense reflections | 0.0756 |
| Weighted residual factors for significantly intense reflections | 0.1942 |
| Weighted residual factors for all reflections included in the refinement | 0.2164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180050 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/44. |
7034466.cif |
| 138637 | 2015-06-07 | cif/ Updating files of 7034462, 7034463, 7034464, 7034465, 7034466, 7034467 Original log message: Adding full bibliography for 7034462--7034467.cif. |
7034466.cif |
| 134108 | 2015-03-19 | cif/ Adding structures of 7034462, 7034463, 7034464, 7034465, 7034466, 7034467 via cif-deposit CGI script. |
7034466.cif |
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