Information card for entry 4504129

Structure parameters

• Formula: C18 H18 Cu2 I2 N3 Nd O9
• Calculated formula: C18 H9 Cu2 I2 N3 Nd O9
• Title of publication: Incorporating Metal Clusters into Three-Dimensional Ln(III)−Cu(I) Coordination Frameworks through Linear Ligands
• Authors of publication: Gu, Xiaojun; Xue, Dongfeng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1726
• a: 9.3247 ± 0.0016 Å
• b: 17.011 ± 0.003 Å
• c: 31.447 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4988.2 ± 1.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No