Information card for entry 4318782

Structure parameters

• Common name: H2TM-2-PyP(4+) 4ClO4(-)
• Chemical name: meso-tetrakis(N-methylpyridinium-2-yl) porphyrin perchlorate
• Formula: C44 H38 Cl4 N8 O16
• Calculated formula: C44 H38 Cl4 N8 O16
• Title of publication: Rotational Isomers of N-Alkylpyridylporphyrins and Their Metal Complexes. HPLC Separation, 1H NMR and X-ray Structural Characterization, Electrochemistry, and Catalysis of O2.- Disproportionation
• Authors of publication: Ivan Spasojević; Ramil Menzeleev; Peter S. White; Irwin Fridovich
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5874 - 5881
• a: 14.2846 ± 0.0015 Å
• b: 22.2158 ± 0.0024 Å
• c: 29.369 ± 0.003 Å
• α: 90°
• β: 95.374 ± 0.002°
• γ: 90°
• Cell volume: 9279.1 ± 1.7 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.236
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for all reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.092
• Goodness-of-fit parameter for significantly intense reflections: 1.66
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No