Information card for entry 4084044

Structure parameters

• Formula: C11 H15 Cr O2 P S
• Calculated formula: C11 H15 Cr O2 P S
• SMILES: [Cr]12345([S]=P1(CC)CC)([cH]1[cH]5[cH]4[cH]3[cH]21)(C#[O])C#[O]
• Title of publication: An Organometallic Radical Route to Bis(phosphido)- and Hydrido−Phosphido-Bridged Metal−Metal-Bonded Complexes of Cyclopentadienylchromium via Desulfurization of Thiophosphinito Ligands
• Authors of publication: Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Haiduc, Ionel
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 5287
• a: 6.9897 ± 0.0001 Å
• b: 13.235 ± 0.0002 Å
• c: 14.0795 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1302.48 ± 0.04 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No