Information card for entry 7124466

Structure parameters

• Formula: C16 H42 Cl2 Cu N4 O14
• Calculated formula: C16 H42 Cl2 Cu N4 O14
• Title of publication: Mass spectrometric detection of enantioselectivity in three-component complexation, copper(ii)-chiral tetradentate ligand-free amino acid in solution.
• Authors of publication: Nakakoji, Takashi; Sato, Hirofumi; Ono, Daisuke; Miyake, Hiroyuki; Shinoda, Satoshi; Tsukube, Hiroshi; Kawasaki, Hideya; Arakawa, Ryuichi; Shizuma, Motohiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 54 - 57
• a: 8.729 ± 0.009 Å
• b: 8.729 ± 0.009 Å
• c: 33.58 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2216 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.277
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No