Information card for entry 2231237

Structure parameters

• Chemical name: {μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)] diphenolato-1κ^4^<i>O</i>^6^,<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6'^; 2κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}(methanol- 1κ<i>O</i>)(tetrafluoridoborato-1κ^2^<i>F</i>,<i>F</i>')- 2-copper(II)-1-sodium
• Formula: C19 H22 B Cu F4 N2 Na O5
• Calculated formula: C19 H22 B Cu F4 N2 Na O5
• SMILES: [B](F)(F)(F)[F-].[Na]123([O]4c5c(cccc5C=[N]5[Cu]64[O]3c3c([O]1C)cccc3C=[N]6CC5)[O]2C)[OH]C
• Title of publication: {μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-1κ^4^<i>O</i>^6^,<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6'^;2κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}(methanol-1κ<i>O</i>)(tetrafluoridoborato-1κ^2^<i>F</i>,<i>F</i>')-2-copper(II)-1-sodium
• Authors of publication: Gao, Ting; Yang, Yu; Gao, Po; Zhang, Ju-Wen; Yang, Jing-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1127
• a: 12.885 ± 0.003 Å
• b: 14.248 ± 0.005 Å
• c: 13.508 ± 0.007 Å
• α: 90°
• β: 117.544 ± 0.017°
• γ: 90°
• Cell volume: 2198.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0809
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes