Information card for entry 4076912

Structure parameters

• Formula: C11 H11 Cr N O3 S2
• Calculated formula: C11 H11 Cr N O3 S2
• SMILES: [Cr]1234(SC(=S)N(C)C)([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])(C#[O])C#[O]
• 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: 7.0727 ± 0.0003 Å
• b: 13.0378 ± 0.0006 Å
• c: 29.0898 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2682.4 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.057
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No