Information card for entry 4342365

Structure parameters

• Formula: C48 H64 Br2 Cu2 N4 P4
• Calculated formula: C48 H64 Br2 Cu2 N4 P4
• SMILES: c1n(CC(C)(C)C)c2ccccc2[p]1[Cu]1([p]2cn(CC(C)(C)C)c3c2cccc3)[Br][Cu]([Br]1)([p]1cn(CC(C)(C)C)c2ccccc12)[p]1cn(CC(C)(C)C)c2c1cccc2
• Title of publication: π-Rich σ(2)P-Heterocycles: Bent η(1)-P- and μ(2)-P-Coordinated 1,3-Benzazaphosphole Copper(I) Halide Complexes.
• Authors of publication: Ghalib, Mohammed; Jones, Peter G.; Schulzke, Carola; Sziebert, Dénes; Nyulászi, László; Heinicke, Joachim W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2117
• a: 8.894 ± 0.0006 Å
• b: 9.8683 ± 0.0007 Å
• c: 15.2708 ± 0.0009 Å
• α: 105.61 ± 0.006°
• β: 105.449 ± 0.006°
• γ: 92.851 ± 0.006°
• Cell volume: 1233.53 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0309
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No