Information card for entry 4337896

Structure parameters

• Formula: C48 H30 N5 O Zn
• Calculated formula: C48 H30 N5 O Zn
• Title of publication: m-Phthalic Diamide-Linked Zinc Bisporphyrinate: Spontaneous Resolution of Its Crystals and Its Application in Chiral Recognition of Amino Acid Esters.
• Authors of publication: Jiang, Jiaxun; Fang, Xianshi; Liu, Baozhen; Hu, Chuanjiang
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3298
• a: 17.809 ± 0.002 Å
• b: 17.809 ± 0.002 Å
• c: 27.08 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8589 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2257
• Weighted residual factors for all reflections included in the refinement: 0.2506
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No