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Information card for entry 7219547
Preview
| Coordinates | 7219547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | none |
|---|---|
| Formula | C14 H13.33333 Ba Li2 N5.33333 O9.33333 |
| Calculated formula | C14 H13.3333 Ba Li2 N5.33333 O9.33333 |
| SMILES | C(=O)(c1cc(C(=O)[O-])n[nH]1)[O-].[Ba+2].[Li+].N(C=O)(C)C.C(=O)(c1cc(C(=O)[O-])n[nH]1)[O-].[Li+].N(C=O)(C)C |
| Title of publication | Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra |
| Authors of publication | Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 3418 |
| a | 10.8783 ± 0.0003 Å |
| b | 28.3945 ± 0.0007 Å |
| c | 9.2141 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2846.09 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0585 |
| Weighted residual factors for all reflections included in the refinement | 0.0622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211691 (current) | 2018-10-29 | cif/7: Fixing Z values and formulae |
7219547.cif |
| 180526 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/95. |
7219547.cif |
| 138501 | 2015-06-07 | cif/ Updating files of 7219545, 7219546, 7219547 Original log message: Adding full bibliography for 7219545--7219547.cif. |
7219547.cif |
| 131811 | 2015-02-13 | cif/ Adding structures of 7219545, 7219546, 7219547 via cif-deposit CGI script. |
7219547.cif |
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