Information card for entry 4073273

Structure parameters

• Formula: C64 H69 F3 O3 Zn2
• Calculated formula: C64 H69 F3 O3 Zn2
• SMILES: [Zn]1([O]2[Zn]([O]1c1c3Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc1cc(c3)C(C)(C)C)c6C#Cc1ccc(cc1)OC)C(C)(C)C)c52)C(C)(C)C)c4C#Cc1ccc(cc1)C(F)(F)F)C(C)(C)C)C)C
• Title of publication: Tunable π-Interactions in Monomeric Organozinc Complexes: Solution and Solid-State Studies
• Authors of publication: Bukhaltsev, Ella; Goldberg, Israel; Cohen, Revital; Vigalok, Arkadi
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 16
• Pages of publication: 4015
• a: 10.2094 ± 0.0004 Å
• b: 14.1816 ± 0.0004 Å
• c: 19.7097 ± 0.0007 Å
• α: 104.322 ± 0.0012°
• β: 98.4218 ± 0.0017°
• γ: 96.127 ± 0.003°
• Cell volume: 2704.58 ± 0.17 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No