Information card for entry 4309778

Structure parameters

• Common name: Compound jm1_3
• Formula: C13 H25 Cl F3 N4 O3.3 S Zn
• Calculated formula: C13 H25 Cl F3 N4 O3.3 S Zn
• Title of publication: Role of Anions on the Crystal Structures of Copper(II) and Zinc(II) Complexes of a Tunable Butterfly Cyclophane Macrocycle
• Authors of publication: Martin Chadim; Pilar Díaz; Enrique García-España; Jana Hodačová; Julio Latorre; Malva Liu-González; Santiago V. Luis; José M. Llinares; Jiří Závada
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7503 - 7510
• a: 8.472 ± 0.005 Å
• b: 9.31 ± 0.005 Å
• c: 13.745 ± 0.005 Å
• α: 84.262 ± 0.005°
• β: 77.49 ± 0.005°
• γ: 73.558 ± 0.005°
• Cell volume: 1014.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2171
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections: 99.99
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2783
• Goodness-of-fit parameter for all reflections: 32.865
• Goodness-of-fit parameter for significantly intense reflections: 35.529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No