Information card for entry 4506269

Structure parameters

• Formula: C30 H22 Cu N2 O20 Pr2
• Calculated formula: C30 H22 Cu N2 O20 Pr2
• Title of publication: Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides
• Authors of publication: Li, Xinfa; Huang, Yuanbiao; Cao, Rong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3549
• a: 7.9529 ± 0.0002 Å
• b: 17.2466 ± 0.0007 Å
• c: 23.2702 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3191.75 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No