Information card for entry 4347000

Structure parameters

• Formula: C4 H6 Cl6 Cu3 N2
• Calculated formula: C4 H6 Cl6 Cu3 N2
• 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: 6.737 ± 0.002 Å
• b: 6.1293 ± 0.0015 Å
• c: 16.438 ± 0.006 Å
• α: 90°
• β: 105.91 ± 0.03°
• γ: 90°
• Cell volume: 652.8 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0236
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No