Information card for entry 4314369

Structure parameters

• Chemical name: Palladium 6,11,16,21-tetraphenyl-22-hydroxybenziporphyrin trifluoroacetic acid adduct chloroform-d disolvate
• Formula: C50 H29 Cl6 D2 F3 N3 O3 Pd
• Calculated formula: C50 H32 Cl6 F3 N3 O3 Pd
• Title of publication: Core-Modified Porphyrin Incorporating a Phenolate Donor. Characterization of Pd(II), Ni(II), Zn(II), Cd(II), and Fe(III) Complexes
• Authors of publication: Marcin Stępień; Lechosław Latos-Grażyński
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6183 - 6193
• a: 14.9805 ± 0.0009 Å
• b: 13.8084 ± 0.0007 Å
• c: 22.1604 ± 0.001 Å
• α: 90°
• β: 100.337 ± 0.005°
• γ: 90°
• Cell volume: 4509.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No