Information card for entry 7707421

Structure parameters

• Formula: C26 H23 Bi Cl2 N2 O2 S2
• Calculated formula: C26 H23 Bi Cl2 N2 O2 S2
• SMILES: [Bi]12(Cl)(Cl)[n]3c(sc4ccccc34)C(OC)(c3c2cccc3)c2sc3ccccc3[n]12.O1CCCC1
• 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: 12.0405 ± 0.0004 Å
• b: 18.2862 ± 0.0008 Å
• c: 12.2047 ± 0.0004 Å
• α: 90°
• β: 101.387 ± 0.003°
• γ: 90°
• Cell volume: 2634.28 ± 0.17 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.0497
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No