Information card for entry 4108024

Structure parameters

• Formula: C10 H10 Cl6 Co N2
• 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: 16.4924 ± 0.0006 Å
• b: 7.2511 ± 0.0003 Å
• c: 13.7532 ± 0.0005 Å
• α: 90°
• β: 100.545 ± 0.002°
• γ: 90°
• Cell volume: 1616.94 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0311
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.489
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No