Information card for entry 4020769

Structure parameters

• Common name: Ni tetrabenzoporphyrin
• Formula: C77 H53 Cl3 N4 Ni O16
• Calculated formula: C79.22 H55.22 Cl9.66 N4 Ni O16
• Title of publication: Novel Versatile Synthesis of Substituted Tetrabenzoporphyrins
• Authors of publication: Olga S. Finikova; Andrei V. Cheprakov; Irina P. Beletskaya; Patrick J. Carroll; Sergei A. Vinogradov
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 522 - 535
• a: 20.8569 ± 0.0004 Å
• b: 20.8569 ± 0.0004 Å
• c: 9.0442 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3934.32 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1583
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No