Information card for entry 7033229

Structure parameters

• Formula: C54 H52 Cl2 Cu6 N16 O19
• Calculated formula: C54 H52 Cl2 Cu6 N16 O19
• Title of publication: 3,3'-di(pyrazinamoyl)-2,2'-bipyridine: rational ligand design for the self-assembly of a 1-D coordination polymer.
• Authors of publication: Hurley, Nicholas J.; Rawson, Jeremy M.; Pilkington, Melanie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1866 - 1874
• a: 10.1126 ± 0.0016 Å
• b: 12.3344 ± 0.0019 Å
• c: 14.39 ± 0.002 Å
• α: 94.368 ± 0.006°
• β: 101.891 ± 0.004°
• γ: 112.023 ± 0.004°
• Cell volume: 1604.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1607
• Residual factor for significantly intense reflections: 0.1096
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No