Information card for entry 4084046

Structure parameters

• Formula: C18 H21 Cr2 O4 P
• Calculated formula: C18 H21 Cr2 O4 P
• SMILES: [Cr]12345([H][Cr]6789([P]1(CC)CC)(C#[O])(C#[O])[cH]1[cH]9[cH]8[cH]7[cH]61)(C#[O])(C#[O])[cH]1[cH]5[cH]4[cH]3[cH]21
• 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: 16.7624 ± 0.0009 Å
• b: 15.1333 ± 0.0008 Å
• c: 16.7583 ± 0.0008 Å
• α: 90°
• β: 117.369 ± 0.002°
• γ: 90°
• Cell volume: 3775.2 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0742
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No