Information card for entry 7710563

Structure parameters

• Common name: DG178
• Formula: C17 H24 Bi Cl5 N2 O2
• Calculated formula: C17 H24 Bi Cl5 N2 O2
• SMILES: [Bi]12(Cl)(Cl)[N]3(Cc4c2c(ccc4)C[N]21CCOCC2)CCOCC3.ClC(Cl)Cl
• 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: 12.492 ± 0.0004 Å
• b: 17.3273 ± 0.0005 Å
• c: 10.6153 ± 0.0003 Å
• α: 90°
• β: 103.466 ± 0.001°
• γ: 90°
• Cell volume: 2234.54 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0179
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.0337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No