Information card for entry 7710568

Structure parameters

• Common name: DG173
• Formula: C16 H23 Bi I2 N2 O2
• Calculated formula: C16 H23 Bi I2 N2 O2
• SMILES: [Bi]12(I)(I)[N]3(Cc4c2c(ccc4)C[N]21CCOCC2)CCOCC3
• Title of publication: Organopnictogen(III) bis(arylthiolates) containing NCN-aryl pincer ligands: from synthesis and characterization to reactivity
• Authors of publication: Duneș, Gabriel; Soran, Albert; Silvestru, Cristian
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.9293 ± 0.0004 Å
• b: 13.7803 ± 0.0006 Å
• c: 13.8198 ± 0.0005 Å
• α: 100.736 ± 0.001°
• β: 91.079 ± 0.001°
• γ: 106.034 ± 0.001°
• Cell volume: 1959.95 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No