Information card for entry 1512633

Structure parameters

• Formula: C54 H42 N4 O2 Zn
• Calculated formula: C54 H42 N4 O2 Zn
• SMILES: [Zn]12(Oc3c(cc(cc3c3[n]2c2c([nH]3)cccc2)C)C(c2ccccc2)c2ccccc2)Oc2c(cc(cc2c2[n]1c1c([nH]2)cccc1)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: 13.942 ± 0.003 Å
• b: 21.575 ± 0.004 Å
• c: 36.686 ± 0.007 Å
• α: 90°
• β: 94.56 ± 0.03°
• γ: 90°
• Cell volume: 11000 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2283
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No