Information card for entry 2202400

Structure parameters

• Chemical name: Chlorotetrakis(2-methylimidazole)copper(II) chloride
• Formula: C16 H24 Cl2 Cu N8
• Calculated formula: C16 H24 Cl2 Cu N8
• SMILES: c1c[nH]c([n]1[Cu]([n]1cc[nH]c1C)([n]1cc[nH]c1C)([n]1cc[nH]c1C)Cl)C.[Cl-]
• Title of publication: [Cu(2-Me-imidH)~4~Cl]Cl: a conflict between high symmetry and packing efficiency
• Authors of publication: Ana María Atria; .; Piedad Cortés; .; María Teresa Garland; .; Ricardo Baggio; .
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m1075 - m1077
• a: 9.8106 ± 0.0012 Å
• b: 9.8106 ± 0.0012 Å
• c: 10.8547 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1044.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 104
• Hermann-Mauguin space group symbol: P 4 n c
• Hall space group symbol: P 4 -2n
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes