Information card for entry 4501551

Structure parameters

• Formula: C15 H17 I3 N3 Nd O8
• Calculated formula: C15 H14 I3 N3 Nd O8
• Title of publication: An Open Neodymium−Organic Framework with the NbO Structure Type Based on Binuclear SBU Involved In Situ Generated Formate
• Authors of publication: Dai, Fangna; Cui, Peipei; Ye, Fei; Sun, Daofeng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1474
• a: 36.405 ± 0.003 Å
• b: 36.405 ± 0.003 Å
• c: 11.6941 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13422 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 0.721
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No