Information card for entry 7050594

Structure parameters

• Common name: janaB
• Formula: C28.5 H35 N10 O14.5
• Calculated formula: C28.5 H32 N10 O14.5
• Title of publication: Copper(II) and Zn(II) coordination chemistry of tetraaza[n]cyclophanes
• Authors of publication: Martin Chadim; Pilar Díaz; Enrique García-España; Jana Hodacova; Peter C. Junk; Julio Latorre; José M. Llinares; Conxa Soriano; Jiri Zavada
• Journal of publication: New J. Chem.
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1132 - 1139
• a: 8.1875 ± 0.0012 Å
• b: 13.3925 ± 0.0019 Å
• c: 15.778 ± 0.002 Å
• α: 92.796 ± 0.003°
• β: 92.386 ± 0.003°
• γ: 101.263 ± 0.003°
• Cell volume: 1692.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No