Information card for entry 4301316

Structure parameters

• Common name: compound 4
• Formula: C42 H57 N9 O18 Tb2
• Calculated formula: C36 H32 N7 O16 Tb2
• 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: 10.539 ± 0.0009 Å
• b: 11.218 ± 0.0009 Å
• c: 12.842 ± 0.0011 Å
• α: 101.472 ± 0.001°
• β: 110.5 ± 0.001°
• γ: 99.257 ± 0.001°
• Cell volume: 1349 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No