Information card for entry 7201597

Structure parameters

• Common name: 1
• Formula: C12 H6 Ba N2 O5
• Calculated formula: C12 H6 Ba N2 O5
• Title of publication: Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals
• Authors of publication: Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 68
• a: 9.696 ± 0.001 Å
• b: 19.241 ± 0.0019 Å
• c: 7.2146 ± 0.0007 Å
• α: 90°
• β: 107.827 ± 0.003°
• γ: 90°
• Cell volume: 1281.3 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No