Information card for entry 7707422

Structure parameters

• Chemical name: Benzo[d]thiazol-2-yl(2-(benzo[d]thiazol-2-yl)phenyl)methanol
• Formula: C21 H14 N2 O S2
• Calculated formula: C21 H14 N2 O S2
• Title of publication: A new C-anionic tripodal ligand 2-{bis(benzothiazolyl)(methoxy)methyl}phenyl and its bismuth complexes.
• Authors of publication: Shimada, Shigeru; Yin, Shuang-Feng; Bao, Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 7949 - 7954
• a: 13.7303 ± 0.0006 Å
• b: 8.2843 ± 0.0004 Å
• c: 15.1051 ± 0.0007 Å
• α: 90°
• β: 95.425 ± 0.004°
• γ: 90°
• Cell volume: 1710.45 ± 0.14 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.0821
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No