Information card for entry 4109553

Structure parameters

• Formula: C59 H43 Ge N7
• Calculated formula: C59 H43 Ge N7
• SMILES: [Ge]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1)([n]1ccccc1)[n]1ccccc1.n1ccccc1
• 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: 9.603 ± 0.003 Å
• b: 11.992 ± 0.004 Å
• c: 20.484 ± 0.007 Å
• α: 90.185 ± 0.005°
• β: 101.13 ± 0.005°
• γ: 104.608 ± 0.005°
• Cell volume: 2236.4 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No