Information card for entry 4109937

Structure parameters

• Chemical name: Dichloro[bis(3,5-bis(3',4',5'-trimethoxyphenyl)pyrazole-1-yl)methane]zinc(II)
• Formula: C46 H54 Cl8 N4 O12 Zn
• Calculated formula: C46 H54 Cl8 N4 O12 Zn
• Title of publication: Tetrahedral Zinc Complexes with Liquid Crystalline and Luminescent Properties: Interplay Between Nonconventional Molecular Shapes and Supramolecular Mesomorphic Order
• Authors of publication: Emma Cavero; Santiago Uriel; Pilar Romero; José Luis Serrano; Raquel Giménez
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11608 - 11618
• a: 10.9883 ± 0.00003 Å
• b: 13.2389 ± 0.0003 Å
• c: 18.4296 ± 0.0005 Å
• α: 92.625 ± 0.002°
• β: 99.99 ± 0.002°
• γ: 97.269 ± 0.002°
• Cell volume: 2612.83 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No