Information card for entry 4346998

Structure parameters

• Formula: C4 H16 Cl3 Cu N2
• Calculated formula: C4 H16 Cl3 Cu N2
• SMILES: C[NH2+]C.C[NH2+]C.Cl[Cu]([Cl-])[Cl-]
• Title of publication: Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?
• Authors of publication: Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 3759 - 3766
• a: 7.293 ± 0.0015 Å
• b: 9.006 ± 0.0018 Å
• c: 9.685 ± 0.0019 Å
• α: 113.14 ± 0.03°
• β: 100.38 ± 0.03°
• γ: 100.33 ± 0.03°
• Cell volume: 552.9 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0305
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No