Information card for entry 4073028

Structure parameters

• Formula: C27 H19 Mo2 O5 P
• Calculated formula: C27 H19 Mo2 O5 P
• SMILES: [Mo]12345([Mo]6789(C#[O])(C#[O])(C#[O])[c]%10([P]1(c1ccccc1)c1ccccc1)[cH]6[cH]7[cH]8[cH]9%10)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Synthesis and Structural Characterization of the μ-η1:η5-Ph2PC5H4Ligand-Containing Transition-Metal Cluster and Dinuclear Complexes (μ-η1:η5-Ph2PC5H4)(μ3-S)MFeCo(CO)7(M = Mo, W), (μ-η1:η5-Ph2PC5H4)(μ3-RC)MCo2(CO)7(M = Mo, W; R = Me, Ph), and (μ-η1:η5-Ph2PC5H4)CpMo2(CO)5Obtained from the Studied Isolobal Displacement Reactions
• Authors of publication: Song, Li-Cheng; Yu, Guang-Ao; Liu, Yang; Yin, Bang-Shao; Zhang, Xiao-Guang; Hu, Qing-Mei
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 1966
• a: 8.0974 ± 0.0018 Å
• b: 17.001 ± 0.004 Å
• c: 18.266 ± 0.004 Å
• α: 90°
• β: 100.351 ± 0.003°
• γ: 90°
• Cell volume: 2473.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No