Information card for entry 4331169

Structure parameters

• Formula: C36 H32 N6
• Calculated formula: C36 H32 N6
• Title of publication: Free Base and Metal Complexes of 5,15-Diaza-10,20-dimesitylporphyrins: Synthesis, Structures, Optical and Electrochemical Properties, and Aromaticities
• Authors of publication: Yoshihiro Matano; Tarou Shibano; Haruyuki Nakano; Yoshifumi Kimura; Hiroshi Imahori
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12879 - 12890
• a: 8.412 ± 0.004 Å
• b: 23.757 ± 0.01 Å
• c: 7.831 ± 0.004 Å
• α: 90°
• β: 113.799 ± 0.005°
• γ: 90°
• Cell volume: 1431.9 ± 1.2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No