Information card for entry 4084048

Structure parameters

• Formula: C19 H21 Cr3 O2 P S
• Calculated formula: C19 H21 Cr3 O2 P S
• SMILES: [Cr]12345678([Cr]9%10%11%12%13%14([Cr]%15%16%17%181([S]29)(C%10=O)(C4=O)[cH]1[cH]%15[cH]%16[cH]%17[cH]%181)([P]3(C)C)[cH]1[cH]%14[cH]%13[cH]%12[cH]%111)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 9.6524 ± 0.0005 Å
• b: 27.9082 ± 0.0014 Å
• c: 15.5775 ± 0.0008 Å
• α: 90°
• β: 106.071 ± 0.001°
• γ: 90°
• Cell volume: 4032.3 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No