Information card for entry 7131218

Structure parameters

• Formula: C48 H61 N2 Sb
• Calculated formula: C48 H61 N2 Sb
• SMILES: [Sb]1[n]2c(=C(c3n1c(c1c(cc(cc1C(C)C)C(C)C)C(C)C)cc3)c1c(cc(C)cc1C)C)ccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C
• 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: 15.4132 ± 0.0008 Å
• b: 13.2255 ± 0.0007 Å
• c: 21.3888 ± 0.0011 Å
• α: 90°
• β: 93.634 ± 0.002°
• γ: 90°
• Cell volume: 4351.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No