Information card for entry 7111377

Structure parameters

• Chemical name: dichlorobis(3,5-bis(p-decyloxyphenyl)pyrazolyl)ethane)zinc(II)
• Formula: C12 H18 Cl2 N4 Zn
• Calculated formula: C12 H18 Cl2 N4 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(C)cc(C)n2CCn2c(C)cc(C)[n]12
• Title of publication: Mesomorphism of a tetrahedral zinc complexElectronic supplementary information (ESI) available: characterization data for the novel compounds; microphotographs of the mesophase textures of compound [Zn(L2e)Cl2] and absorption and emission spectra for L2e and [Zn(L2e)Cl2].
• Authors of publication: Giménez, Raquel; Belén Manrique, Ana; Uriel, Santiago; Barberá, Joaquín; Serrano, José Luis
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 18
• Pages of publication: 2064 - 2065
• a: 14.976 ± 0.003 Å
• b: 11.164 ± 0.003 Å
• c: 18.877 ± 0.003 Å
• α: 90°
• β: 101.59 ± 0.009°
• γ: 90°
• Cell volume: 3091.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No