Information card for entry 4114233

Structure parameters

• Formula: C100 H110 N10 O2 Zn2
• Calculated formula: C100 H110 N10 O2 Zn2
• Title of publication: Hexagonal Columnar Porphyrin Assembly by Unique Trimeric Complexation of a Porphyrin Dimer with π-π Stacking: Remarkable Thermal Behavior in a Solid
• Authors of publication: Hidemitsu Uno; Akane Masumoto; Noboru Ono
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12082 - 12083
• a: 10.093 ± 0.002 Å
• b: 12.653 ± 0.002 Å
• c: 16.267 ± 0.003 Å
• α: 89.477 ± 0.007°
• β: 85.161 ± 0.007°
• γ: 86.061 ± 0.007°
• Cell volume: 2065.1 ± 0.6 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No