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Information card for entry 7208669
Preview
| Coordinates | 7208669.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H18 N4 |
|---|---|
| Calculated formula | C12 H18 N4 |
| SMILES | n1(CCC)ccnc1c1n(ccn1)CCC |
| Title of publication | Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes |
| Authors of publication | Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 24 |
| Pages of publication | 8401 |
| a | 13.3579 ± 0.0005 Å |
| b | 9.9265 ± 0.0004 Å |
| c | 18.76 ± 0.0007 Å |
| α | 90° |
| β | 106.731 ± 0.002° |
| γ | 90° |
| Cell volume | 2382.22 ± 0.16 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 | 0.0528 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.1041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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. |
7208669.cif |
| 180417 | 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 7/20/86. |
7208669.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208669.cif |
| 71447 | 2013-01-20 | cif/ Adding structures of 7208664, 7208665, 7208666, 7208667, 7208668, 7208669 via cif-deposit CGI script. |
7208669.cif |
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Users of the data should acknowledge the original authors of the
structural data.