Information card for entry 2231323

Structure parameters

• Chemical name: {4,6-Bis[(<i>E</i>)-1-methyl-2-(pyridin-2-ylmethylidene-κ<i>N</i>)hydrazinyl- κ<i>N</i>^2^]pyrimidine-κ<i>N</i>^1^}dichloridocopper(II) methanol disolvate monohydrate
• Formula: C20 H26 Cl2 Cu N8 O3
• Calculated formula: C20 H28 Cl2 Cu N8 O3
• SMILES: [Cu]12(Cl)(Cl)[n]3cnc(N(/N=C/c4ncccc4)C)cc3N([N]2=Cc2[n]1cccc2)C.OC.OC.O
• Title of publication: {4,6-Bis[(<i>E</i>)-1-methyl-2-(pyridin-2-ylmethylidene-κ<i>N</i>)hydrazinyl-κ<i>N</i>^2^]pyrimidine-κ<i>N</i>^1^}dichloridocopper(II) methanol disolvate monohydrate
• Authors of publication: Marzec, Bartosz; Mariyatra, M. Baby; McCabe, Thomas; Schmitt, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1073 - m1074
• a: 7.43 ± 0.005 Å
• b: 11.627 ± 0.008 Å
• c: 14.026 ± 0.009 Å
• α: 95.848 ± 0.007°
• β: 93.477 ± 0.013°
• γ: 92.92 ± 0.009°
• Cell volume: 1201.2 ± 1.4 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes