Information card for entry 4340729

Structure parameters

• Formula: C20 H29 Cl2 Cu N3 O
• Calculated formula: C20 H29 Cl2 Cu N3 O
• SMILES: [Cu]12(Cl)(Cl)[n]3c(CC[N]41CC[N]2(CCC4)CCc1ccccc1)cccc3.O
• Title of publication: Geometric control of nuclearity in copper(i)/dioxygen chemistry.
• Authors of publication: Abe, Tsukasa; Morimoto, Yuma; Tano, Tetsuro; Mieda, Kaoru; Sugimoto, Hideki; Fujieda, Nobutaka; Ogura, Takashi; Itoh, Shinobu
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8786 - 8794
• a: 7.4178 ± 0.0003 Å
• b: 9.9823 ± 0.0004 Å
• c: 14.4429 ± 0.0006 Å
• α: 97.4074 ± 0.0011°
• β: 91.2319 ± 0.001°
• γ: 103.157 ± 0.001°
• Cell volume: 1031.25 ± 0.07 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 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 significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.623
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No