Information card for entry 7227676

Structure parameters

• Formula: C15 H13 Co N2
• Calculated formula: C15 H13 Co N2
• SMILES: [Co]12345(Nc6c(N1)cc1ccccc1c6)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Molecular and thin film properties of cobalt half-sandwich compounds for optoelectronic application.
• Authors of publication: Reinhardt, Maxwell; Dalgleish, Simon; Shuku, Yoshiaki; Reissig, Louisa; Matsushita, Michio M.; Crain, Jason; Awaga, Kunio; Robertson, Neil
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 6768 - 6776
• a: 8.0533 ± 0.0008 Å
• b: 25.607 ± 0.003 Å
• c: 45.045 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9289.2 ± 1.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No