Information card for entry 7707420

Structure parameters

• Formula: C44 H30 Bi Cl N4 O2 S4
• Calculated formula: C44 H30 Bi Cl N4 O2 S4
• SMILES: [Bi]12(Cl)([O](C(c3c1cccc3)(c1sc3ccccc3n1)c1sc3ccccc3n1)C)[n]1c(sc3ccccc13)C(OC)(c1c2cccc1)c1sc2ccccc2n1
• 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: 12.3209 ± 0.0003 Å
• b: 13.317 ± 0.0003 Å
• c: 14.6867 ± 0.0003 Å
• α: 110.088 ± 0.002°
• β: 104.112 ± 0.002°
• γ: 107.625 ± 0.002°
• Cell volume: 1987.42 ± 0.1 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: 0.0382
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No