Information card for entry 7112340

Structure parameters

• Formula: C44 H52 Cu2 N4 O16
• Calculated formula: C44 H52 Cu2 N4 O16
• Title of publication: A pH-triggered bistable copper(II) metallacycle as a reversible emulsion switch for biphasic processes.
• Authors of publication: do Pim, Walace D.; Oliveira, Willian X. C.; Ribeiro, Marcos A.; de Faria, Érica N; Teixeira, Ivo F.; Stumpf, Humberto O.; Lago, Rochel M.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Figueiredo, Jr, João C D; Nunes, Wallace C.; de Souza, Patterson P.; Pedroso, Emerson F.; Castellano, María; Cano, Joan; Julve, Miguel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 92
• Pages of publication: 10778 - 10780
• a: 8.8221 ± 0.0002 Å
• b: 11.573 ± 0.0003 Å
• c: 13.5452 ± 0.0003 Å
• α: 68.274 ± 0.002°
• β: 86.53 ± 0.002°
• γ: 82.154 ± 0.002°
• Cell volume: 1272.6 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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 all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2447
• Weighted residual factors for all reflections included in the refinement: 0.2474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No