Information card for entry 7114014

Structure parameters

• Formula: C43 H40 Cl2 Cu2 N10 O2
• Calculated formula: C43.01 H38 Cl2.02 Cu2 N10 O4
• Title of publication: Mononuclear‒dinuclear helicate interconversion of dibromo{N,N′-bis[(S)-1-2-(pyridyl)ethyl]pyridine-2,6-dicarboxamidate}copper(ii) via a deprotonation‒protonation processElectronic supplementary information (ESI) available: preparation of (R)- and (S)-PEPDAH2. See http://www.rsc.org/suppdata/cc/b2/b202700c/
• Authors of publication: Yano, Toshihiro; Tanaka, Rika; Nishioka, Takanori; Kinoshita, Isamu; Isobe, Kiyoshi; Wright, L. James; Collins, Terrence J.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 1396
• a: 14.804 ± 0.002 Å
• b: 16.226 ± 0.003 Å
• c: 17.416 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4183.5 ± 1.2 ų
• Cell temperature: 153.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No