Information card for entry 1100719

Structure parameters

• Common name: AMA232
• Formula: C67 H84 B2 Cu2 N8 O7
• Calculated formula: C67 H84 B2 Cu2 N8 O7
• SMILES: [Cu]1234OC(=O)O[Cu]567[N]8(CCC[N]2(CC[N]1(CCC[N]5(CC8)CC[NH2]7)CC[NH2]3)CC[NH2]4)CC[NH2]6.O.O.O.O.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Concentration of Carbon Dioxide by Electrochemically Modulated Complexation with a Binuclear Copper Complex
• Authors of publication: Aaron M. Appel; Rachel Newell; Daniel L. DuBois; M. Rakowski DuBois
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3046 - 3056
• a: 13.3916 ± 0.0005 Å
• b: 13.4574 ± 0.0005 Å
• c: 20.1343 ± 0.0007 Å
• α: 73.226 ± 0.001°
• β: 86.07 ± 0.001°
• γ: 64.368 ± 0.001°
• Cell volume: 3125.6 ± 0.2 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 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: 0.1163
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No