Information card for entry 1512617

Structure parameters

• Formula: C62 H60 N2 O2 Zn
• Calculated formula: C62 H60 N2 O2 Zn
• SMILES: [Zn]12(Oc3c(cc(cc3C(c3ccccc3)c3ccccc3)C)C=[N]2c2c(CC)cccc2CC)Oc2c(cc(cc2C(c2ccccc2)c2ccccc2)C)C=[N]1c1c(cccc1CC)CC
• Title of publication: Synthesis, structure and photophysical properties of 2-benzhydryl-4-methyl-6-(aryliminomethyl)phenol ligands and the zinc complexes thereof
• Authors of publication: Zihong Zhou; Wen Li; Xiaohua Hou; Xiang Hao; Langqiu Chen; Carl Redshaw; Wen-Hua Sun
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 292 - 299
• a: 12.433 ± 0.003 Å
• b: 15.346 ± 0.003 Å
• c: 15.863 ± 0.003 Å
• α: 70.36 ± 0.03°
• β: 70.72 ± 0.03°
• γ: 72.6 ± 0.03°
• Cell volume: 2629.8 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No