Information card for entry 4325681

Structure parameters

• Chemical name: 3,3-bis(meso-tetratolyl-2-aza-21-carbaporphyrin) dihydrochloride
• Formula: C101 H81 Cl17 N8
• Calculated formula: C101 H81 Cl17 N8
• Title of publication: Protonated N-Confused Porphyrin Dimer: Formation, Structure, and Guest Binding
• Authors of publication: Piotr J. Chmielewski; Marta Siczek; Ludmiła Szterenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6719 - 6736
• a: 20.632 ± 0.003 Å
• b: 19.729 ± 0.003 Å
• c: 23.833 ± 0.003 Å
• α: 90°
• β: 101.088 ± 0.011°
• γ: 90°
• Cell volume: 9520 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No