Information card for entry 7707419

Structure parameters

• Formula: C22 H15 Bi Br4 N2 O S2
• Calculated formula: C22 H15 Bi Br4 N2 O S2
• SMILES: [Bi]1(Br)(Br)(Br)[n]2c(sc3ccccc23)C(OC)(c2c(Br)cccc2)c2sc3ccccc3[n]12
• 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: 11.1267 ± 0.0006 Å
• b: 14.9545 ± 0.0009 Å
• c: 15.4839 ± 0.0009 Å
• α: 90°
• β: 92.486 ± 0.001°
• γ: 90°
• Cell volume: 2574 ± 0.3 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No