Information card for entry 7205677

Structure parameters

• Formula: C10 H8 Cl4 Cu N2
• Calculated formula: C10 H8 Cl4 Cu N2
• SMILES: c1cc(cc[n]1[Cu]([n]1ccc(cc1)Cl)(Cl)Cl)Cl
• Title of publication: Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions
• Authors of publication: Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3189
• a: 3.787 ± 0.003 Å
• b: 7.549 ± 0.005 Å
• c: 11.992 ± 0.008 Å
• α: 74.198 ± 0.008°
• β: 88.428 ± 0.007°
• γ: 85.816 ± 0.007°
• Cell volume: 329 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1625
• Residual factor for significantly intense reflections: 0.1111
• Weighted residual factors for significantly intense reflections: 0.2526
• Weighted residual factors for all reflections included in the refinement: 0.2743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.6998 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No