Information card for entry 7131219

Structure parameters

• Formula: C60 H73 Cl2 N2 Sb
• Calculated formula: C60 H73 Cl2 N2 Sb
• SMILES: [Sb]1(Cl)(Cl)n2c(C(c3c(C)cc(cc3C)C)c3n1c(c1c(C(C)C)cc(cc1C(C)C)C(C)C)cc3)ccc2c1c(C(C)C)cc(cc1C(C)C)C(C)C.c1ccccc1.c1ccccc1
• Title of publication: Crystalline heaviest pnictogen-dipyrromethenes: isolation, characterization, and reactivity.
• Authors of publication: Liu, Chen; Dai, Yuyang; Han, Qiqi; Liu, Chunmeng; Su, Yuanting
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 15
• Pages of publication: 2161 - 2164
• a: 11.7747 ± 0.0014 Å
• b: 13.6594 ± 0.0016 Å
• c: 20.446 ± 0.002 Å
• α: 90.015 ± 0.004°
• β: 103.015 ± 0.004°
• γ: 114.68 ± 0.003°
• Cell volume: 2894.7 ± 0.6 ų
• Cell temperature: 129 ± 2 K
• Ambient diffraction temperature: 129 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No