Information card for entry 4133866

Structure parameters

• Formula: C66 H88 Cl16 N2 Sb2
• Calculated formula: C66 H88 Cl16 N2 Sb2
• Title of publication: Pauli Paramagnetism of Stable Analogues of Pernigraniline Salt Featuring Ladder-Type Constitution.
• Authors of publication: Ji, Xiaozhou; Xie, Haomiao; Zhu, Congzhi; Zou, Yang; Mu, Anthony U.; Al-Hashimi, Mohammed; Dunbar, Kim R.; Fang, Lei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 8.8952 ± 0.0003 Å
• b: 11.4019 ± 0.0004 Å
• c: 20.569 ± 0.0007 Å
• α: 84.5548 ± 0.0012°
• β: 89.4723 ± 0.0012°
• γ: 67.0952 ± 0.0012°
• Cell volume: 1912.12 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0436
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No