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Information card for entry 7016708
Preview
Coordinates | 7016708.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H30 Cl Co N5 O S |
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Calculated formula | C28 H30 Cl Co N5 O S |
SMILES | [Co]12(Cl)([O]=S(C)C)n3c(=Nc4[n]1c1c(cc4)CCCC1)c1ccccc1c3=Nc1[n]2c2c(cc1)CCCC2 |
Title of publication | Bis(2-pyridylimino)isoindolato iron(ii) and cobalt(ii) complexes: Structural chemistry and paramagnetic NMR spectroscopy. |
Authors of publication | Kruck, Matthias; Sauer, Désirée C; Enders, Markus; Wadepohl, Hubert; Gade, Lutz H. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 40 |
Pages of publication | 10406 - 10415 |
a | 16.954 ± 0.009 Å |
b | 8.904 ± 0.005 Å |
c | 17.198 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2596 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0571 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0672 |
Weighted residual factors for all reflections included in the refinement | 0.0725 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7016708.html
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