Information card for entry 7707417

Structure parameters

• Chemical name: 2,2'-((2-bromophenyl)(methoxy)methylene)bis(benzo[d]thiazole)
• Formula: C22 H15 Br N2 O S2
• Calculated formula: C22 H15 Br 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: 29.938 ± 0.0007 Å
• b: 18.6991 ± 0.0004 Å
• c: 13.9399 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7803.7 ± 0.3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No