Information card for entry 4075787

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[c]3(N)[cH]2[cH]17)c1c(N6CC)cccc1
• 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: 8.4209 ± 0.0008 Å
• b: 12.858 ± 0.0012 Å
• c: 13.9489 ± 0.0013 Å
• α: 90°
• β: 91.84 ± 0.002°
• γ: 90°
• Cell volume: 1509.6 ± 0.2 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: 0.1293
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No