Information card for entry 4314368

Structure parameters

• Chemical name: Palladium 6,11,16,21-tetraphenyl-22-hydroxybenziporphyrin chloroform-d solvate
• Formula: C47 H29 Cl3 D N3 O Pd
• Calculated formula: C47 H30 Cl3 N3 O 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: 15.0961 ± 0.0007 Å
• b: 14.6038 ± 0.0009 Å
• c: 16.7035 ± 0.0009 Å
• α: 90°
• β: 93.027 ± 0.004°
• γ: 90°
• Cell volume: 3677.3 ± 0.3 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No