Information card for entry 4076915

Structure parameters

• Formula: C14 H19 Cr N O2 S2
• Calculated formula: C14 H19 Cr N O2 S2
• SMILES: [Cr]12345(SC(=[S]1)N(C(C)C)C(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)(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: 7.7263 ± 0.0001 Å
• b: 10.0947 ± 0.0002 Å
• c: 10.1584 ± 0.0002 Å
• α: 79.463 ± 0.001°
• β: 83.3 ± 0.001°
• γ: 82.665 ± 0.001°
• Cell volume: 769.02 ± 0.02 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No