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Information card for entry 4313555
Preview
| Coordinates | 4313555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H14 N6 |
|---|---|
| Calculated formula | C20 H14 N6 |
| SMILES | c1cc(cnc1c1ccccn1)/N=N/c1ccc(c2ccccn2)nc1 |
| Title of publication | Synthesis and Structural, Electrochemical, and Optical Properties of Ru(II) Complexes with Azobis(2,2'-bipyridine)s |
| Authors of publication | Joe Otsuki; Nobuyuki Omokawa; Kenji Yoshiba; Isao Yoshikawa; Tetsuo Akasaka; Tomoyoshi Suenobu; Toshio Takido; Koji Araki; Shunichi Fukuzumi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 3057 - 3066 |
| a | 22.495 ± 0.001 Å |
| b | 6.256 ± 0.0003 Å |
| c | 23.699 ± 0.001 Å |
| α | 90° |
| β | 166.325 ± 0.001° |
| γ | 90° |
| Cell volume | 788.47 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0607 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.1595 |
| Weighted residual factors for all reflections included in the refinement | 0.1614 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4313555.cif |
| 179196 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/35. |
4313555.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313555.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313555.cif |
| 6624 | 2011-01-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4313555 via cif-deposit CGI script. |
4313555.cif |
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