Information card for entry 7212590

Structure parameters

• Formula: C17 H15 O13 Tb
• Calculated formula: C17 H13 O13 Tb
• Title of publication: Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids
• Authors of publication: Thuéry, Pierre; Masci, Bernardo
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2982
• a: 7.3207 ± 0.0007 Å
• b: 10.0387 ± 0.0012 Å
• c: 12.6282 ± 0.0018 Å
• α: 72.998 ± 0.006°
• β: 83.552 ± 0.007°
• γ: 83.817 ± 0.007°
• Cell volume: 879.13 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No