Information card for entry 4301313

Structure parameters

• Common name: compound 1
• Formula: C36 H43 N7 O16 Pr2
• Calculated formula: C36 H43 N7 O16 Pr2
• Title of publication: 3-D Lanthanide Metal-Organic Frameworks: Structure, Photoluminescence, and Magnetism
• Authors of publication: Cory A. Black; José Sánchez Costa; Wen Tian Fu; Chiara Massera; Olivier Roubeau; Simon J. Teat; Guillem Aromí; Patrick Gamez; Jan Reedijk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1062 - 1068
• a: 10.4951 ± 0.0003 Å
• b: 11.3396 ± 0.0003 Å
• c: 12.7954 ± 0.0004 Å
• α: 100.73 ± 0.002°
• β: 110.142 ± 0.001°
• γ: 99.732 ± 0.002°
• Cell volume: 1359.05 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No