Information card for entry 4330573

Structure parameters

• Formula: C10 H4 Cu F14 N4
• Calculated formula: C10 H4 Cu F14 N4
• SMILES: [Cu]12(NC(=C(F)C(=[NH]2)C(F)(F)F)C(F)(F)F)NC(=C(F)C(=[NH]1)C(F)(F)F)C(F)(F)F
• Title of publication: Highly Flexible Molecule "Chameleon": Reversible Thermochromism and Phase Transitions in Solid Copper(II) Diiminate Cu[CF3-C(NH)-CF=C(NH)-CF3]2
• Authors of publication: Victor N. Khrustalev; Svetlana O. Kostenko; Mikhail I. Buzin; Alexander A. Korlyukov; Yan V. Zubavichus; Michael A. Kurykin; Mikhail Yu. Antipin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10590 - 10602
• a: 12.4673 ± 0.0019 Å
• b: 10.1898 ± 0.0015 Å
• c: 13.1267 ± 0.0019 Å
• α: 90°
• β: 95.272 ± 0.003°
• γ: 90°
• Cell volume: 1660.6 ± 0.4 ų
• Cell temperature: 363 ± 2 K
• Ambient diffraction temperature: 363 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No