Information card for entry 4325683

Structure parameters

• Chemical name: 3,3-bis(meso-tetratolyl-2-aza-21-carbaporphyrin)
• Formula: C100.58 H81.58 Cl10.73 N8 O
• Calculated formula: C100.58 H81.58 Cl10.74 N8 O
• 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: 13.6 ± 0.003 Å
• b: 17.361 ± 0.004 Å
• c: 20.361 ± 0.005 Å
• α: 91.38 ± 0.03°
• β: 98.78 ± 0.03°
• γ: 108.92 ± 0.03°
• Cell volume: 4480 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No