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Information card for entry 7206169
Preview
| Coordinates | 7206169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H15 N12 Ru |
|---|---|
| Calculated formula | C18 H15 N12 Ru |
| SMILES | [Ru]123(n4ccnc4c4[n]1cc[nH]4)(n1ccnc1c1[n]2cc[nH]1)n1ccnc1c1[n]3cc[nH]1 |
| Title of publication | Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions |
| Authors of publication | Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 14 |
| Pages of publication | 4512 |
| a | 12.2028 ± 0.0012 Å |
| b | 12.6711 ± 0.0012 Å |
| c | 17.5676 ± 0.0013 Å |
| α | 90° |
| β | 131.125 ± 0.004° |
| γ | 90° |
| Cell volume | 2046.2 ± 0.3 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 | 0.0508 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206169.cif |
| 180392 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/61. |
7206169.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206169.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206169.cif |
| 23564 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206169, 7206170, 7206171 via cif-deposit CGI script. |
7206169.cif |
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