Information card for entry 4502185

Structure parameters

• Formula: C14 H13.8 Cu K0.5 N2 O12.9 Pr0.5
• Calculated formula: C14 H13.8 Cu K0.5 N2 O12.9 Pr0.5
• Title of publication: Synthesis, Crystal Structures, and Properties of Novel Heterometallic La/Pr−Cu−K and Sm/Eu/Tb−Cu Coordination Polymers
• Authors of publication: Sun, Ya-guang; Gu, Xiao-fu; Ding, Fu; Smet, Philippe F.; Gao, En-jun; Poelman, Dirk; Verpoort, Francis
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 1059
• a: 7.9977 ± 0.0014 Å
• b: 10.9472 ± 0.0019 Å
• c: 20.722 ± 0.004 Å
• α: 90°
• β: 93.796 ± 0.003°
• γ: 90°
• Cell volume: 1810.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No