Information card for entry 7045601

Structure parameters

• Chemical name: Ni-LA1
• Formula: C70 H58 Cl4 N14 Ni2 O16
• Calculated formula: C70 H58 Cl4 N14 Ni2 O16
• Title of publication: Diversity of metal-organic macrocycles assembled from carbazole based ligands with different lengths.
• Authors of publication: Yu, Hao; Wang, Jing; Guo, Xiangyang; Zhang, Rong; He, Cheng; Duan, Chunying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 4040 - 4044
• a: 16.416 ± 0.003 Å
• b: 31.885 ± 0.005 Å
• c: 15.264 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7990 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.203
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No