Information card for entry 4337586

Structure parameters

• Common name: Zn2DPO.DPEA
• Formula: C92 H96 Cl6 N10 O Zn2
• Calculated formula: C92 H96 Cl6 N10 O Zn2
• Title of publication: Synthesis, structure, and properties of a series of chiral tweezer-diamine complexes consisting of an achiral zinc(II) bisporphyrin host and chiral diamine guest: induction and rationalization of supramolecular chirality.
• Authors of publication: Brahma, Sanfaori; Ikbal, Sk Asif; Rath, Sankar Prasad
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 49 - 62
• a: 25.188 ± 0.005 Å
• b: 14.481 ± 0.003 Å
• c: 23.119 ± 0.004 Å
• α: 90°
• β: 101.694 ± 0.003°
• γ: 90°
• Cell volume: 8258 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1377
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No