Information card for entry 7131217

Structure parameters

• Formula: C62 H77 Bi Cl2 N2
• Calculated formula: C62 H77 Bi Cl2 N2
• 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: 11.8029 ± 0.0006 Å
• b: 13.8511 ± 0.0007 Å
• c: 20.2711 ± 0.0011 Å
• α: 89.719 ± 0.001°
• β: 77.72 ± 0.001°
• γ: 65.449 ± 0.001°
• Cell volume: 2932.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 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: 0.0264
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No