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Information card for entry 4108039
Preview
Coordinates | 4108039.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H10 Cl6 Co N2 |
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Calculated formula | C10 H10 Cl6 Co N2 |
SMILES | c1cc(cc[nH+]1)Cl.Cl[Co](Cl)([Cl-])[Cl-].c1cc(cc[nH+]1)Cl |
Title of publication | Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) |
Authors of publication | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 9058 - 9071 |
a | 16.5059 ± 0.0012 Å |
b | 7.2124 ± 0.0012 Å |
c | 13.752 ± 0.0011 Å |
α | 90° |
β | 100.695 ± 0.006° |
γ | 90° |
Cell volume | 1608.7 ± 0.3 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1006 |
Residual factor for significantly intense reflections | 0.0578 |
Weighted residual factors for significantly intense reflections | 0.1474 |
Weighted residual factors for all reflections included in the refinement | 0.179 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.24 |
Diffraction radiation wavelength | 0.488 Å |
Diffraction radiation type | X-ray |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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