Information card for entry 4501553

Structure parameters

• Formula: C15 H17 I3 N3 Nd O8
• Calculated formula: C15 H13 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: 36.431 ± 0.0012 Å
• b: 36.431 ± 0.0012 Å
• c: 11.6867 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13432.7 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0667
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No