Information card for entry 4507103

Structure parameters

• Formula: C12 H8 Ba O27 P4 U3
• Calculated formula: C12 H8 Ba O27 P4 U3
• Title of publication: Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates
• Authors of publication: Adelani, Pius O.; Albrecht-Schmitt, Thomas E.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5800
• a: 9.5213 ± 0.0009 Å
• b: 10.5817 ± 0.001 Å
• c: 18.3319 ± 0.0018 Å
• α: 95.927 ± 0.001°
• β: 99.681 ± 0.001°
• γ: 114.194 ± 0.001°
• Cell volume: 1630 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No