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Information card for entry 4303165
Preview
| Coordinates | 4303165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H36 Cl4 Fe2 N18 O16 |
|---|---|
| Calculated formula | C30 H36 Cl4 Fe2 N18 O16 |
| SMILES | c1c2C=[N]3[Fe]456([n]2c(C)[nH]1)[n]1c(C)[nH]cc1C=[N]5[N]1=Cc2c[nH]c(C)[n]2[Fe]251([n]1c(C)[nH]cc1C=[N]2[N]6=Cc1c[nH]c(C)[n]41)[n]1c(C)[nH]cc1C=[N]35.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| 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 | 10.031 ± 0.002 Å |
| b | 10.031 ± 0.002 Å |
| c | 24.859 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2166.2 ± 0.8 Å3 |
| Cell temperature | 93.1 K |
| Number of distinct elements | 6 |
| Space group number | 165 |
| Hermann-Mauguin space group symbol | P -3 c 1 |
| Hall space group symbol | -P 3 2"c |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for all reflections included in the refinement | 0.1188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| 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. |
4303165.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. |
4303165.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303165.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303165.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303165.cif |
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