Information card for entry 7110509

Structure parameters

• Formula: C35 H46 B Cu N5 O4
• Calculated formula: C35 H46 B Cu N5 O4
• Title of publication: The crystal structures of glycylglycine and glycine complexes of cis,cis-1,3,5-triaminocyclohexane‒copper(II) as reaction intermediates of metal-promoted peptide hydrolysis
• Authors of publication: Tan, Xiang Shi; Fujii, Yuki; Sato, Tsuyoshi; Nakano, Yoshiharu; Yashiro, Morio
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 881
• a: 10.238 ± 0.004 Å
• b: 18.026 ± 0.007 Å
• c: 10.065 ± 0.003 Å
• α: 92.29 ± 0.03°
• β: 113.71 ± 0.03°
• γ: 101.13 ± 0.03°
• Cell volume: 1654.4 ± 1.1 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.0502
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 3.47
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No