Information card for entry 4339775

Structure parameters

• Common name: Ge(Pc)(t-py)2
• Formula: C50 H42 Ge N10
• Calculated formula: C50 H42 Ge N10
• SMILES: c12=Nc3[n]4c(=Nc5c6c(c7n5[Ge]54(n2c(=Nc2[n]5c(=N7)c4c2cccc4)c2c1cccc2)([n]1ccc(cc1)C(C)(C)C)[n]1ccc(cc1)C(C)(C)C)cccc6)c1ccccc31
• Title of publication: Germanium phthalocyanine, GePc, and the reduced complexes SiPc(pyridine)(2) and GePc(pyridine)(2) containing antiaromatic pi-electron circuits.
• Authors of publication: Cissell, Julie A.; Vaid, Thomas P.; Dipasquale, Antonio G.; Rheingold, Arnold L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7713 - 7715
• a: 13.312 ± 0.0008 Å
• b: 17.7477 ± 0.001 Å
• c: 10.8177 ± 0.0006 Å
• α: 90°
• β: 106.38 ± 0.003°
• γ: 90°
• Cell volume: 2452 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0456
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No