Information card for entry 2022433

Structure parameters

• Chemical name: Bis[<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinato]bromidoantimony(III)
• Formula: C50 H70 Br N4 Sb
• Calculated formula: C50 H70 Br N4 Sb
• SMILES: [Sb]12(Br)([N](=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)N(C=[N]2c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Synthesis and characterization of a range of antimony(I/III) <i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinate complexes
• Authors of publication: Al-Dabbagh, Areej; Guo, Zhifang; Junk, Peter; Wang, Jun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 9
• a: 18.7239 ± 0.0014 Å
• b: 20.5497 ± 0.0017 Å
• c: 12.9785 ± 0.001 Å
• α: 90°
• β: 96.886 ± 0.004°
• γ: 90°
• Cell volume: 4957.7 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• 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: 0.0821
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes