Information card for entry 7041986

Structure parameters

• Formula: C20 H42.88 Cu4.78 N13.56 O24.12
• Calculated formula: C20 H42.88 Cu4.78 N13.56 O24.12
• Title of publication: Spontaneous ligand nitrosation and self-assembly into a pentacopper metallacrown complex.
• Authors of publication: Otsuki, Joe; Sekine, Tatsuki; Kida, Yuki; Shinozaki, Yoshinao; Kobayashi, Sayaka; Tamura, Takahiro; Sugawa, Kosuke; Yoshikawa, Isao; Houjou, Hirohiko; Yoshikawa, Hiroki; Tsukamoto, Arata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 2760 - 2764
• a: 15.965 ± 0.004 Å
• b: 20.231 ± 0.005 Å
• c: 13.227 ± 0.003 Å
• α: 90°
• β: 111.993 ± 0.003°
• γ: 90°
• Cell volume: 3961.3 ± 1.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No