Information card for entry 2015995

Structure parameters

• Chemical name: bis(dimethyl 2,2'-bipyridine-6,6'-dicarboxylato-κ^2^N,N')copper(I) tetrafluoroborate
• Formula: C28 H24 B Cu F4 N4 O8
• Calculated formula: C28 H24 B Cu F4 N4 O8
• SMILES: [Cu]12([n]3c(cccc3C(=O)OC)c3[n]1c(ccc3)C(=O)OC)[n]1c(cccc1C(=O)OC)c1[n]2c(ccc1)C(=O)OC.[B](F)(F)(F)[F-]
• Title of publication: Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate and bis(dimethyl 2,2'-bipyridine-6,6'-dicarboxylato-κ^2^<i>N</i>,<i>N</i>')copper(I) tetrafluoroborate
• Authors of publication: Alexander J. Blake; Neil R. Champness; Pamela V. Mason; Claire Wilson
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m280 - m282
• a: 7.777 ± 0.002 Å
• b: 27.434 ± 0.006 Å
• c: 13.965 ± 0.003 Å
• α: 90°
• β: 103.254 ± 0.003°
• γ: 90°
• Cell volume: 2900.1 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No