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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 |
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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.