Information card for entry 1565618

Structure parameters

• Formula: C37 H21 N4 Sb
• Calculated formula: C37 H23 N4 Sb
• SMILES: [Sb]123n4c5c6n2c(C(=c2[n]1c(C(=c1n3c(cc1)=C(c1ccccc1)c4cc5)c1ccccc1)cc2)c1ccccc1)cc6
• Title of publication: Synthesis and characterization of antimony(V)-oxo corrole complexes
• Authors of publication: Mondal, Sruti; Garai, Antara; Naik, Pratyush Kumar; Adha, Jogesh Kumar; Kar, Sanjib
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 501
• Pages of publication: 119300
• a: 12.4741 ± 0.0008 Å
• b: 21.8912 ± 0.001 Å
• c: 10.7274 ± 0.0006 Å
• α: 90°
• β: 99.256 ± 0.005°
• γ: 90°
• Cell volume: 2891.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No