Information card for entry 4109554

Structure parameters

• Formula: C67 H35 F24 Ge N7
• Calculated formula: C62 H30 F24 Ge N6
• Title of publication: Reversible Oxidation State Change in Germanium(tetraphenylporphyrin) Induced by a Dative Ligand: Aromatic GeII(TPP) and Antiaromatic GeIV(TPP)(pyridine)2
• Authors of publication: Julie A. Cissell; Thomas P. Vaid; Glenn P. A. Yap
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7841 - 7847
• a: 17.003 ± 0.003 Å
• b: 17.824 ± 0.004 Å
• c: 20.177 ± 0.003 Å
• α: 90°
• β: 99.981 ± 0.01°
• γ: 90°
• Cell volume: 6022.3 ± 1.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No