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Information card for entry 1544272
Preview
| Coordinates | 1544272.cif |
|---|---|
| Structure factors | 1544272.hkl |
| Original paper (by DOI) | HTML |
| Formula | C11 H20 Co N11 O3 S |
|---|---|
| Calculated formula | C11 H20 Co N11 O3 S |
| SMILES | [Co]12(N=N#N)(N=N#N)([NH2]CC[NH2]1)[NH2]CC[NH2]2.c12S(=O)([O-])=NC(=O)c1cccc2 |
| Title of publication | Cationic Cobaltammines as Anion Receptors: Synthesis, Spectroscopic and X-ray Structural Study of Biologically Important Saccharinate Salt, [cis-Co(en)~2~(N~3~)~2~](C~7~H~4~NSO~3~) |
| Authors of publication | Rajni Sharma; Raj Pal Sharma; Konstantin Karaghiosoff; Thomas M. Klapoetke; Miguel Quirós; Juan M. Salas |
| Journal of publication | Journal of Molecular Structure |
| Year of publication | 2009 |
| Journal volume | 930 |
| Pages of publication | 88 - 94 |
| a | 7.3164 ± 0.0005 Å |
| b | 11.4668 ± 0.0008 Å |
| c | 11.9873 ± 0.0008 Å |
| α | 110.369 ± 0.001° |
| β | 100.918 ± 0.001° |
| γ | 97.158 ± 0.001° |
| Cell volume | 905.69 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187271 (current) | 2016-10-11 | cif/ hkl/ Adding structures of 1544272 via cif-deposit CGI script. |
1544272.cif 1544272.hkl |
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Users of the data should acknowledge the original authors of the
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