Information card for entry 1518978

Structure parameters

• Common name: [Mo2(O2C-Ph-p-Cl)4],2(THF)
• Formula: C36 H32 Cl4 Mo2 O10
• Calculated formula: C36 H32 Cl4 Mo2 O10
• SMILES: [Mo]1234[Mo]([O]=C(O3)c3ccc(Cl)cc3)(OC(=[O]4)c3ccc(Cl)cc3)([O]=C(O1)c1ccc(Cl)cc1)OC(=[O]2)c1ccc(Cl)cc1.O1CCCC1.O1CCCC1
• Title of publication: Molecular ordering by halide-halide interactions in dimolybdenum p-halobenzoates
• Authors of publication: Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker; Philip J. Young
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 300 - 307
• a: 6.7473 ± 0.0001 Å
• b: 11.6194 ± 0.0002 Å
• c: 12.1291 ± 0.0003 Å
• α: 95.576 ± 0.001°
• β: 99.128 ± 0.001°
• γ: 100.377 ± 0.001°
• Cell volume: 915.74 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No