Information card for entry 4500768

Structure parameters

• Formula: C16 H14 K N2 O8 Tb
• Calculated formula: C16 H14 K N2 O8 Tb
• SMILES: C1(c2ccncc2)=[O][Tb]234(O1)([O]=C(c1ccncc1)O2)(OC(=[O]3)C)[O]=C(C)O4.[K+]
• Title of publication: Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers
• Authors of publication: Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2485 - 2492
• a: 10.6936 ± 0.0009 Å
• b: 14.702 ± 0.0012 Å
• c: 12.9661 ± 0.0011 Å
• α: 90°
• β: 106.313 ± 0.001°
• γ: 90°
• Cell volume: 1956.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0304
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No