Information card for entry 4117057

Structure parameters

• Common name: tetramesitylporphyrin diacid, perchlorate salt
• Formula: C228 H223.84 Cl7.92 N16 O33.68 Zn0.04
• Calculated formula: C228 H223.84 Cl7.92 N16 O33.68 Zn0.04
• Title of publication: An Analysis of Porphyrin Molecular Flexibility Use of Porphyrin Diacids
• Authors of publication: Beisong Cheng; Orde Q. Munro; Helder M. Marques; W. Robert Scheidt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 10732 - 10742
• a: 14.288 ± 0.003 Å
• b: 19.153 ± 0.011 Å
• c: 19.622 ± 0.009 Å
• α: 97.8 ± 0.01°
• β: 99.16 ± 0.02°
• γ: 98.12 ± 0.02°
• Cell volume: 5179 ± 4 ų
• Cell temperature: 127 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1422
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections: 0.2112
• Weighted residual factors for significantly intense reflections: 0.1752
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No