Information card for entry 4075788

Structure parameters

• Formula: C17 H14 Cr N2 O3
• Calculated formula: C17 H14 Cr N2 O3
• SMILES: [Cr]12345(C#[O])(C#[O])(C#[O])[c]67[c]5([cH]4[cH]3[cH]2[cH]17)c1cc(N)ccc1N6CC
• Title of publication: Metal π Complexes of Carbazole Derivatives for Optoelectronics: Synthesis, Structures, and UV−Visible Absorption Spectra of (3-Amino-9-ethylcarbazole)chromium Tricarbonyl Complexes
• Authors of publication: Shen, Kanyi; Tian, Xiaohui; Zhong, Juhua; Lin, Jiaping; Shen, Yi; Wu, Peiyi
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 127
• a: 12.175 ± 0.003 Å
• b: 13.95 ± 0.003 Å
• c: 10.056 ± 0.003 Å
• α: 90°
• β: 111.98 ± 0.02°
• γ: 90°
• Cell volume: 1583.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1214
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No