Information card for entry 4333058

Structure parameters

• Formula: C26 H27 Mo2 O5 P
• Calculated formula: C26 H27 Mo2 O5 P
• SMILES: [Mo]12345([H][Mo]6789([P]1(Oc1ccccc1)C1CCCCC1)(C#[O])(C#[O])[cH]1[cH]6[cH]9[cH]8[cH]71)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Trapping of Hemiquinone Radicals at Mo and P Sites by Phosphide-Bridged Dimolybdenum Species: Chemistry of Complexes [Mo2(η5-C5H5)2(OC6H4OH)(μ-PR2)(CO)4] and [Mo2(η5-C5H5)2{μ-PR(OC6H4OH)}(CO)4]-(R = Cy, Ph)
• Authors of publication: Alvarez, Celedonio M.; Alvarez, M. Angeles; Alonso, María; García, M. Esther; Rueda, M. Teresa; Ruiz, Miguel A.; Herson, Patrick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9593 - 9606
• a: 9.0903 ± 0.0013 Å
• b: 9.9522 ± 0.0015 Å
• c: 15.312 ± 0.002 Å
• α: 77.434 ± 0.002°
• β: 74.559 ± 0.002°
• γ: 80.305 ± 0.002°
• Cell volume: 1294.3 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No