Information card for entry 7710566

Structure parameters

• Common name: DG116
• Formula: C28 H37 N2 S2 Sb
• Calculated formula: C28 H37 N2 S2 Sb
• SMILES: [Sb](Sc1c(cccc1C)C)(Sc1c(cccc1C)C)c1c(cccc1CN(C)C)CN(C)C
• 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: 12.197 ± 0.0004 Å
• b: 14.4548 ± 0.0005 Å
• c: 16.212 ± 0.0005 Å
• α: 90.62 ± 0.001°
• β: 98.823 ± 0.001°
• γ: 102.031 ± 0.001°
• Cell volume: 2759.69 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.0345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No