Information card for entry 1512634

Structure parameters

• Formula: C60 H54 N4 O2 Zn
• Calculated formula: C60 H54 N4 O2 Zn
• SMILES: [Zn]12(Oc3c(cc(cc3c3[n]1c1c(n3C(C)C)cccc1)C)C(c1ccccc1)c1ccccc1)Oc1c(cc(cc1c1[n]2c2c(n1C(C)C)cccc2)C)C(c1ccccc1)c1ccccc1
• Title of publication: 6-Benzhydryl-4-methyl-2-(1H-benzoimidazol-2-yl)phenol ligands and their zinc complexes: Syntheses, characterization and photoluminescence behavior
• Authors of publication: Zihong Zhou; Wen Li; Xiang Hao; Carl Redshaw; Langqiu Chen; Wen-Hua Sun
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 345 - 353
• a: 16.626 ± 0.003 Å
• b: 10.26 ± 0.002 Å
• c: 28.932 ± 0.006 Å
• α: 90°
• β: 99.36 ± 0.03°
• γ: 90°
• Cell volume: 4869.6 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.322
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No