Information card for entry 2218210

Structure parameters

• Chemical name: Bis(chloroacetato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-methanol-κO-bis(2- methylfuro[3,2-<i>c</i>]pyridine-κ<i>N</i>)copper(II)
• Formula: C21 H22 Cl2 Cu N2 O7
• Calculated formula: C21 H22 Cl2 Cu N2 O7
• SMILES: C[OH][Cu](OC(=O)CCl)(OC(=O)CCl)([n]1cc2cc(C)oc2cc1)[n]1cc2c(cc1)oc(c2)C
• Title of publication: Bis(chloroacetato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-methanol-κO-bis(2-methylfuro[3,2-<i>c</i>]pyridine-κ<i>N</i>)copper(II)
• Authors of publication: Mikloš, Dušan; Miklovič, Jozef; Mrázová, Viera; Moncol, Jan; Segľa, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m610 - m611
• a: 19.86 ± 0.003 Å
• b: 15.576 ± 0.003 Å
• c: 15.017 ± 0.003 Å
• α: 90°
• β: 97.917 ± 0.003°
• γ: 90°
• Cell volume: 4601.1 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes