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Information card for entry 7011553
Preview
| Coordinates | 7011553.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 N6 O2 |
|---|---|
| Calculated formula | C18 H18 N6 O |
| SMILES | n1(cncc1)Cc1cc(cc(Cn2cncc2)c1)Cn1cncc1.O |
| Title of publication | Assembly of supermolecular complexes with tripodal ligand titmb and tib: a 2D rhombic grid network assembled from 2-connected tib |
| Authors of publication | Liu, Hong-Ke; Sun, Wei-Yin; Tang, Wen-Xia; Tan, Hai-Yan; Zhang, Hua-Xin; Tong, Ye-Xiang; Yu, Xiao-Lan; Kang, Bei-Sheng |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 20 |
| Pages of publication | 3886 |
| a | 18.59 ± 0.004 Å |
| b | 16.384 ± 0.003 Å |
| c | 11.721 ± 0.002 Å |
| α | 90° |
| β | 102.2 ± 0.03° |
| γ | 90° |
| Cell volume | 3489.3 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.913 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011553.cif |
| 179819 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/15. |
7011553.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011553.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011553.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011553.cif |
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Users of the data should acknowledge the original authors of the
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