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Information card for entry 4303161
Preview
| Coordinates | 4303161.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H12 N6 |
|---|---|
| Calculated formula | C10 H12 N6 |
| SMILES | Cc1[nH]cc(/C=N/N=C/c2c[nH]c(C)n2)n1 |
| Title of publication | Structures and Spin States of Bis(tridentate)-Type Mononuclear and Triple Helicate Dinuclear Iron(II) Complexes of Imidazole-4-carbaldehyde azine |
| Authors of publication | Yukinari Sunatsuki; Ryohei Kawamoto; Kunihiro Fujita; Hisashi Maruyama; Takayoshi Suzuki; Hiroyuki Ishida; Masaaki Kojima; Seiichiro Iijima; Naohide Matsumoto |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 8784 - 8795 |
| a | 9.5559 ± 0.0017 Å |
| b | 8.027 ± 0.0011 Å |
| c | 14.798 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1135.1 ± 0.3 Å3 |
| Cell temperature | 293.1 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.2623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4303161.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4303161.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303161.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303161.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303161.cif |
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