Information card for entry 2015245

Structure parameters

• Chemical name: pyridine(tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20- tetrabenzoato)zinc(II)
• Formula: C57 H41 N5 O8 Zn
• Calculated formula: C57 H41 N5 O8 Zn
• Title of publication: Clathrate solvates of tetrakis(4-methoxycarbonylphenyl)porphyrin and its zinc(II)‒pyridine complex, in which the porphyrin host structures are stabilized by porphyrin‒porphyrin stacking and C—H···O attractions
• Authors of publication: Sankar Muniappan; Sophia Liptsman; Israel Goldberg
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m140 - m143
• a: 17.4965 ± 0.0004 Å
• b: 18.2617 ± 0.0002 Å
• c: 19.0558 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6088.6 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes