Information card for entry 4309777

Structure parameters

• Common name: Compound jhs4cu
• Formula: C24 H58 Cl4 Cu2 N8 O14
• Calculated formula: C21.3333 H40.8889 Cl3.55556 Cu1.77778 N7.11111 O12.4444
• 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: 9.938 ± 0.0002 Å
• b: 30.247 ± 0.0006 Å
• c: 53.143 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15974.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F 2 d d
• Hall space group symbol: F -2d 2
• Residual factor for all reflections: 0.1668
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 0.777
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No