Information card for entry 2224342

Structure parameters

• Chemical name: Bis(2-amino-6-methylpyridinium) tetrachloridocuprate(II)
• Formula: C12 H18 Cl4 Cu N4
• Calculated formula: C12 H18 Cl4 Cu N4
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].[nH+]1c(cccc1N)C.c1([nH+]c(ccc1)C)N
• Title of publication: Bis(2-amino-6-methylpyridinium) tetrachloridocuprate(II)
• Authors of publication: Gong, Jiang; Chen, Gang; Ni, Shi-Feng; Zhang, Yong-Yao; Wang, Hai-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1661 - m1662
• a: 7.7466 ± 0.0017 Å
• b: 8.0372 ± 0.0018 Å
• c: 14.969 ± 0.003 Å
• α: 78.922 ± 0.004°
• β: 82.154 ± 0.004°
• γ: 89.911 ± 0.004°
• Cell volume: 905.8 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes