Information card for entry 7707423

Structure parameters

• Formula: C25 H21 Bi Cl2 N2 O2 S2
• Calculated formula: C25 H21 Bi Cl2 N2 O2 S2
• SMILES: [Bi]12(Cl)(Cl)[n]3c(sc4ccccc34)C(OC)(c3c2cccc3)c2sc3ccccc3[n]12.O=C(C)C
• 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: 8.8807 ± 0.0002 Å
• b: 9.9946 ± 0.0002 Å
• c: 15.0274 ± 0.0003 Å
• α: 87.839 ± 0.002°
• β: 85.579 ± 0.002°
• γ: 69.106 ± 0.002°
• Cell volume: 1242.33 ± 0.05 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No