Information card for entry 7107678

Structure parameters

• Common name: chloropalladium meso-anthriporphyrin
• Formula: C57.55 H42.1 Cl3.3 N3 O0.1 Pd
• Calculated formula: C57.55 H41.9 Cl3.3 N3 O0.1 Pd
• Title of publication: Toward aceneporphyrinoids: synthesis and transformations of palladium(II) meso-anthriporphyrin
• Authors of publication: Bartosz Szyszko; Lechoslaw Latos-Grazynski; Ludmila Szterenberg
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5004
• a: 50.222 ± 0.015 Å
• b: 50.222 ± 0.015 Å
• c: 9.718 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21227 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No