Information card for entry 7200707

Structure parameters

• Formula: C16 H20 Cl2 N6 O2 Zn
• Calculated formula: C16 H20 Cl2 N6 O2 Zn
• Title of publication: Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes
• Authors of publication: Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 975
• a: 10.734 ± 0.0011 Å
• b: 14.3446 ± 0.0011 Å
• c: 13.728 ± 0.0012 Å
• α: 90°
• β: 104.839 ± 0.002°
• γ: 90°
• Cell volume: 2043.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No