Information card for entry 4310670

Structure parameters

• Common name: Co(ppz2)Cl2
• Formula: C18 H14 Cl2 Co N4
• Calculated formula: C18 H14 Cl2 Co N4
• SMILES: [Co]1([n]2n(c3c(cccc3)c3c(n4[n]1ccc4)cccc3)ccc2)(Cl)Cl
• Title of publication: Organometallic Complexes as Hole-Transporting Materials in Organic Light-Emitting Diodes
• Authors of publication: Xiaofan Ren; Bert D. Alleyne; Peter I. Djurovich; Chihaya Adachi; Irina Tsyba; Robert Bau; Mark E. Thompson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1697 - 1707
• a: 7.866 ± 0.005 Å
• b: 8.854 ± 0.006 Å
• c: 13.619 ± 0.009 Å
• α: 90°
• β: 95.079 ± 0.011°
• γ: 90°
• Cell volume: 944.8 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No