Information card for entry 4321896

Structure parameters

• Formula: C81 H75 Cl2 Gd N8
• Calculated formula: C80.847 H62 Cl1.694 Gd N8
• Title of publication: Synthesis and Physicochemical Characterization of Protonated and Deprotonated Forms in Heteroleptic Lanthanide(III) Porphyrinate Double-Deckers. X-ray Structure of GdIIIH(oep)(tpp) at 298 and 21 K
• Authors of publication: Georgios A. Spyroulias; Catherine P. Raptopoulou; Dominique de Montauzon; Alain Mari; René Poilblanc; Aris Terzis; Athanassios G. Coutsolelos
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1683 - 1696
• a: 13.779 ± 0.001 Å
• b: 19.41 ± 0.001 Å
• c: 26.183 ± 0.002 Å
• α: 90°
• β: 101.938 ± 0.002°
• γ: 90°
• Cell volume: 6851.2 ± 0.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.1463
• Weighted residual factors for significantly intense reflections: 0.1149
• Goodness-of-fit parameter for all reflections: 1.098
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No