Information card for entry 4084047

Structure parameters

• Formula: C16 H22 Cr2 O2 P2
• Calculated formula: C16 H22 Cr2 O2 P2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Cr]162345(C#[O])[P](C)(C)[Cr]23456(C#[O])([cH]6[cH]2[cH]3[cH]4[cH]56)[P]1(C)C
• 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: 8.1796 ± 0.0007 Å
• b: 10.7038 ± 0.0009 Å
• c: 10.3067 ± 0.0009 Å
• α: 90°
• β: 102.613 ± 0.002°
• γ: 90°
• Cell volume: 880.6 ± 0.13 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: 0.0555
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No