Information card for entry 4504559

Structure parameters

• Formula: C10 H13 Cl3 Co N4
• Calculated formula: C10 H13 Cl3 Co N4
• SMILES: [Co](Cl)(Cl)(Cl)[n]1c(N)cccc1.Nc1[nH+]cccc1
• Title of publication: Polymorphism in an Ionic Pair 2-Aminopyridyl-CoIIComplex: Role of N−H···Cl Hydrogen Bonds and π···π Interactions in Tuning the Columnar Packing
• Authors of publication: Zhang, Guoqi; Yang, Guoqiang; Wu, Nianzu; Ma, Jin Shi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 229
• a: 13.216 ± 0.0009 Å
• b: 8.1166 ± 0.0008 Å
• c: 14.0262 ± 0.0009 Å
• α: 90°
• β: 106.236 ± 0.004°
• γ: 90°
• Cell volume: 1444.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No