Information card for entry 4317171

Structure parameters

• Formula: C36 H72 Cu6 Fe N13 O15
• Calculated formula: C36 H72 Cu6 Fe N13 O15
• Title of publication: Self-Assembled 3D Heterometallic CuII/FeII Coordination Polymers with Octahedral Net Skeletons: Structural Features, Molecular Magnetism, Thermal and Oxidation Catalytic Properties
• Authors of publication: Yauhen Y. Karabach; M. Fátima C. Guedes da Silva; Maximilian N. Kopylovich; Beatriz Gil-Hernández; Joaquin Sanchiz; Alexander M. Kirillov; Armando J. L. Pombeiro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11096 - 11105
• a: 14.3634 ± 0.0013 Å
• b: 15.9165 ± 0.0015 Å
• c: 17.4598 ± 0.0016 Å
• α: 68.162 ± 0.004°
• β: 66.272 ± 0.005°
• γ: 64.6 ± 0.003°
• Cell volume: 3203.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No