Information card for entry 7131404

Structure parameters

• Formula: C68 H56 Cl4 F13 N2 O Os P3 Sb2
• Calculated formula: C68 H56 Cl4 F13 N2 O Os P3 Sb2
• SMILES: [Os]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(N(N=CC2=CC(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(F)cc1)C#[O].[Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)(F)([F-])F.ClCCl.ClCCl
• Title of publication: Hetero-carbolong chemistry: experimental and theoretical studies of diaza-metallapentalenes.
• Authors of publication: Chu, Zhenwei; Li, Jinhua; Hua, Yuhui; Luo, Ming; Chen, Dafa; Xia, Haiping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 28
• Pages of publication: 4173 - 4176
• a: 11.7175 ± 0.0007 Å
• b: 13.7798 ± 0.0008 Å
• c: 21.3973 ± 0.0009 Å
• α: 98.994 ± 0.002°
• β: 98.356 ± 0.002°
• γ: 94.226 ± 0.004°
• Cell volume: 3359.7 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No