Information card for entry 7114015

Structure parameters

• Formula: C42 H50 Cu2 N10 O10
• Calculated formula: C42 H38 Cu2 N10 O10
• SMILES: [Cu]1234[n]5ccccc5[C@@H](N1C(=O)c1[n]2c(ccc1)C(=O)N1[Cu]25([n]6c([C@@H]1C)cccc6)[n]1ccccc1[C@@H](N2C(=O)c1[n]5c(ccc1)C(=O)N3[C@@H](C)c1[n]4cccc1)C)C.O.O.O.O.O.O.[Cu]1234[n]5ccccc5[C@H](N1C(=O)c1[n]2c(ccc1)C(=O)N1[Cu]25([n]6c([C@H]1C)cccc6)[n]1ccccc1[C@H](N2C(=O)c1[n]5c(ccc1)C(=O)N3[C@H](C)c1[n]4cccc1)C)C.O.O.O.O.O.O
• 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: 10.483 ± 0.001 Å
• b: 12.709 ± 0.001 Å
• c: 17.889 ± 0.002 Å
• α: 83.592 ± 0.01°
• β: 79.837 ± 0.009°
• γ: 67.482 ± 0.007°
• Cell volume: 2164.5 ± 0.4 ų
• Cell temperature: 193.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No