Information card for entry 7029193

Structure parameters

• Formula: C46 H58 N6 Zn
• Calculated formula: C46 H58 N6 Zn
• Title of publication: Palladium-catalyzed amination of meso-(bromophenyl)porphyrins with diamines and azamacrocycles.
• Authors of publication: Mikhalitsyna, E. A.; Tyurin, V. S.; Khrustalev, V. N.; Lonin, I. S.; Beletskaya, I. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3563 - 3575
• a: 12.8648 ± 0.0006 Å
• b: 16.2634 ± 0.0008 Å
• c: 23.2452 ± 0.0012 Å
• α: 90°
• β: 102.308 ± 0.001°
• γ: 90°
• Cell volume: 4751.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1196
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No