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Information card for entry 1550753
Preview
| Coordinates | 1550753.cif |
|---|---|
| Structure factors | 1550753.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate |
|---|---|
| Formula | C10 H24 Cl3 Co F N5 O |
| Calculated formula | C9.999 H23.998 Cl3 Co F N5 O |
| SMILES | [Co]12(Cl)([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]c1ccc(F)cc1.[Cl-].[Cl-].O |
| Title of publication | Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate |
| Authors of publication | SubbiahPandi, A.; AaminaNaaz, Y.; Mahalakshmi, C. Maharaja; Anbalagan, K. |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 3 |
| Pages of publication | x190327 |
| a | 8.1712 ± 0.0006 Å |
| b | 9.5435 ± 0.0008 Å |
| c | 11.9771 ± 0.001 Å |
| α | 104.231 ± 0.004° |
| β | 99.49 ± 0.004° |
| γ | 100.705 ± 0.004° |
| Cell volume | 867.57 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0215 |
| Residual factor for significantly intense reflections | 0.0193 |
| Weighted residual factors for significantly intense reflections | 0.0552 |
| Weighted residual factors for all reflections included in the refinement | 0.0578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214148 (current) | 2019-03-16 | cif/ hkl/ Adding structures of 1550753 via cif-deposit CGI script. |
1550753.cif 1550753.hkl |
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Users of the data should acknowledge the original authors of the
structural data.