Information card for entry 7711305

Structure parameters

• Formula: C42 H40 B Cl8 F10 N3 O Sb
• Calculated formula: C42 H40 B Cl8 F10 N3 O Sb
• SMILES: [Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].Fc1c([B]2(ON(c3[n]2cc(N(c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(C)(C)C)cc3)C(C)(C)C)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F.ClCCl
• Title of publication: Boron complexes of π-extended nitroxide ligands exhibiting three-state redox processes and near-infrared-II (NIR-II) absorption properties.
• Authors of publication: Nakamura, Marika; Hyakutake, Risa; Morisako, Shogo; Sasamori, Takahiro; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Nakashima, Kouichi; Fukumoto, Hiroki; Agou, Tomohiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 36
• Pages of publication: 13675 - 13680
• a: 21.0513 ± 0.0007 Å
• b: 11.8757 ± 0.0003 Å
• c: 23.2991 ± 0.0007 Å
• α: 90°
• β: 108.431 ± 0.003°
• γ: 90°
• Cell volume: 5526 ± 0.3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 8
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No