Information card for entry 4330574

Structure parameters

• Formula: C10 H4 Cu F14 N4
• Calculated formula: C10 H4 Cu F14 N4
• SMILES: [Cu]12([NH]=C(C(=C(N1)C(F)(F)F)F)C(F)(F)F)NC(=C(F)C(=[NH]2)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: 10.6799 ± 0.0015 Å
• b: 12.1418 ± 0.0016 Å
• c: 12.9618 ± 0.0019 Å
• α: 86.992 ± 0.003°
• β: 89.995 ± 0.003°
• γ: 67.385 ± 0.002°
• Cell volume: 1549.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1432
• 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