Information card for entry 4504207

Structure parameters

• Formula: C10 H12 Cl3 Co N3 S
• Calculated formula: C10 H12 Cl3 Co N3 S
• SMILES: Cc1c(c(C)[nH][n]1[Co](Cl)(Cl)Cl)[S]=c1cc[nH]cc1
• Title of publication: Cobalt(II), Copper(II), and Zinc(II) Framework Systems Derived from Ditopic Pyridyl-Acetylacetone and Pyridyl-Pyrazole Ligands
• Authors of publication: Won, Tae-Jin; Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 972
• a: 7.389 ± 0.0008 Å
• b: 9.904 ± 0.001 Å
• c: 20.499 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1500.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No