Information card for entry 2011347

Structure parameters

• Chemical name: N-(2-pyrimidinyl)-piperazine Tetrachlorocuprate(II)
• Formula: C8 H14 Cl4 Cu N4
• Calculated formula: C8 H14 Cl4 Cu N4
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].[nH+]1cccnc1N1CC[NH2+]CC1
• Title of publication: Bis(1-methylguanidinium) tetrachlorocuprate(II) and 4-(2-pyrimidin-1-io)piperazinium tetrachlorocuprate(II)
• Authors of publication: Corzo-Suárez, Raúl; Díaz, Isabel; García-Granda, Santiago; Fernández, Vicente
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: e385 - e387
• a: 9.205 ± 0.007 Å
• b: 16.13 ± 0.03 Å
• c: 9.391 ± 0.007 Å
• α: 90°
• β: 99.24 ± 0.06°
• γ: 90°
• Cell volume: 1376 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes