Information card for entry 4511158

Structure parameters

• Formula: C52 H82 Cu2 Fe3 N38 O5
• Calculated formula: C52 H72 Cu2 Fe3 N38 O5
• Title of publication: Novel Bimetallic-Dicyanamide Extended Two- and Three-Dimensional Networks through [Cu(rac-CTH)]2+Cation Templation
• Authors of publication: Suárez-Varela, José; Moreno, José María; Maimoun, Ikram Ben; Lloret, Francesc; Mrozinski, Jerzy; Kivekäs, Raikko; Colacio, Enrique
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 4102
• a: 29.846 ± 0.017 Å
• b: 21.31 ± 0.008 Å
• c: 12.09 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7689 ± 7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.2209
• Residual factor for significantly intense reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.2737
• Weighted residual factors for all reflections included in the refinement: 0.3328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No