Information card for entry 4346890

Structure parameters

• Formula: C167 H124 Cl4 N18 O3 Zn3
• Calculated formula: C165 H120 N18 O3 Zn3
• Title of publication: Crystallographic and Spectroscopic Studies of a Host-Guest Complex Consisting of a Novel Zinc Trisporphyrinate and a Chiral Monoamine.
• Authors of publication: Han, Zhen; Li, Li; Shi, Bo; Fang, Xianshi; Wang, Yong; Hu, Chuanjiang
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 3730 - 3737
• a: 13.0878 ± 0.0004 Å
• b: 17.967 ± 0.0007 Å
• c: 31.6685 ± 0.0008 Å
• α: 82.813 ± 0.003°
• β: 88.295 ± 0.002°
• γ: 69.03 ± 0.003°
• Cell volume: 6898 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No