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Information card for entry 7036450
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Coordinates | 7036450.cif |
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Original paper (by DOI) | HTML |
Chemical name | (2,2'-Biquinoline)-iodido-cobalt(II) |
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Formula | C18 H12 Co I2 N2 |
Calculated formula | C18 H12 Co I2 N2 |
SMILES | I[Co]1(I)[n]2c3c(cccc3)ccc2c2[n]1c1c(cccc1)cc2 |
Title of publication | Three tetracoordinate Co(ii) complexes [Co(biq)X2] (X = Cl, Br, I) with easy-plane magnetic anisotropy as field-induced single-molecule magnets. |
Authors of publication | Smolko, L.; Černák, J; Dušek, M; Miklovič, J; Titiš, J; Boča, R |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 40 |
Pages of publication | 17565 - 17571 |
a | 7.7734 ± 0.0002 Å |
b | 12.5186 ± 0.0004 Å |
c | 17.9276 ± 0.0007 Å |
α | 90° |
β | 101.346 ± 0.003° |
γ | 90° |
Cell volume | 1710.48 ± 0.1 Å3 |
Cell temperature | 120 ± 0.1 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 5 |
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 | 0.047 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.104 |
Weighted residual factors for all reflections included in the refinement | 0.109 |
Goodness-of-fit parameter for significantly intense reflections | 1.5 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.47 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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