Information card for entry 7243658

Structure parameters

• Chemical name: Ni4TQ
• Formula: C140.3 H117.1 N4 Ni O8
• Calculated formula: C140.304 H117.112 N4 Ni O8
• Title of publication: Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin
• Authors of publication: Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 43
• Pages of publication: 7565 - 7569
• a: 20.4751 ± 0.0003 Å
• b: 20.4751 ± 0.0003 Å
• c: 13.4593 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5642.5 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1993
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No