Information card for entry 7201599

Structure parameters

• Common name: 3
• Formula: C14 H8 Ba2 N2 O10
• Calculated formula: C14 H8 Ba2 N2 O10
• 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: 27.5898 ± 0.0011 Å
• b: 9.7108 ± 0.0004 Å
• c: 13.2117 ± 0.0005 Å
• α: 90°
• β: 117.092 ± 0.001°
• γ: 90°
• Cell volume: 3151.3 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0255
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No