Information card for entry 4324838

Structure parameters

• Formula: C25 H13 Cu3 F18 Fe N6
• Calculated formula: C25 H13 Cu3 F18 Fe N6
• Title of publication: Peculiarities of the Complexation of Copper and Silver Adducts of a 3,5-Bis(trifluoromethyl)pyrazolate Ligand with Organoiron Compounds
• Authors of publication: Victoria N. Tsupreva; Alexey A. Titov; Oleg A. Filippov; Alexey N. Bilyachenko; Alexander F. Smol'yakov; Fedor M. Dolgushin; Denis V. Agapkin; Ivan A. Godovikov; Lina M. Epstein; Elena S. Shubina
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3325 - 3331
• a: 8.9763 ± 0.0004 Å
• b: 9.4659 ± 0.0004 Å
• c: 19.3435 ± 0.0009 Å
• α: 80.863 ± 0.001°
• β: 84.951 ± 0.001°
• γ: 73.114 ± 0.001°
• Cell volume: 1551.25 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No