Information card for entry 4076916

Structure parameters

• Formula: C10 H11 Cr N O2 S
• Calculated formula: C10 H11 Cr N O2 S
• SMILES: [Cr]12345([cH]6[cH]4[cH]3[cH]2[cH]16)(C#[O])(C#[O])[S]=C5N(C)C
• Title of publication: Synthetic and Structural Study of Cyclopentadienylchromium Dithiocarbamate Complexes and Their Thermolytic Derivatives
• Authors of publication: Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Leung, Pak Hing
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 4398
• a: 10.3873 ± 0.0007 Å
• b: 19.5813 ± 0.0013 Å
• c: 11.1634 ± 0.0007 Å
• α: 90°
• β: 91.076 ± 0.002°
• γ: 90°
• Cell volume: 2270.2 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0526
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No