Information card for entry 7132898

Structure parameters

• Formula: C46 H57 N2 O4 Sb
• Calculated formula: C46 H57 N2 O4 Sb
• SMILES: [Sb]123(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)c4[n]3c(=C(c3n2c(c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc3)c1c(cc(cc1C)C)C)cc4)(O)O
• Title of publication: Synthesis and optical properties of antimony(V) complexes of a trianionic N₂O₂-type tetradentate dipyrrin ligand.
• Authors of publication: Agou, Tomohiro; Kuroiwa, Shunsuke; Fukumoto, Hiroki; Nabeshima, Tatsuya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 34
• Pages of publication: 4557 - 4560
• a: 28.4574 ± 0.0005 Å
• b: 27.9101 ± 0.0004 Å
• c: 32.3437 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25688.9 ± 0.8 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0875
• 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