Information card for entry 2218245

Structure parameters

• Chemical name: {2,2'-[(3-Azapentane-1,5-diyl)bis(nitrilomethylidyne)]diphenolato}dicopper(II) dimethyl sulfoxide disolvate
• Formula: C40 H50 Cu2 N6 O6 S2
• Calculated formula: C40 H50 Cu2 N6 O6 S2
• Title of publication: Bis{μ-2,2'-[(3-azapentane-1,5-diyl)bis(nitrilomethylidyne)]diphenolato}dicopper(II) dimethyl sulfoxide disolvate
• Authors of publication: Quintero-Tellez, Guadalupe; González Álvarez, Carmen María; Bernès, Sylvain; Alcántara-Flores, José Luis; Reyes-Ortega, Yasmi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m631 - m632
• a: 12.817 ± 0.003 Å
• b: 16.783 ± 0.004 Å
• c: 9.827 ± 0.003 Å
• α: 90°
• β: 106.732 ± 0.018°
• γ: 90°
• Cell volume: 2024.4 ± 0.9 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Cell measurement pressure: 101 ± 2 kPa
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes