Information card for entry 7107578

Structure parameters

• Formula: C46 H44 Mo2 O4
• Calculated formula: C46 H44 Mo2 O4
• SMILES: c1(c(cccc1c1c(cccc1C)C)c1c(cccc1C)C)[Mo]12[O]=CO[Mo]2(c2c(cccc2c2c(cccc2C)C)c2c(cccc2C)C)[O]=CO1
• Title of publication: Four-Coordinate Quadruply Bonded Dimolybdenum Complexes with Carboxylate and Terphenyl Ligands
• Authors of publication: Mario Carrasco; Michelle Faust; Riccardo Peloso; Amor Rodriguez; J.Lopez-Serrano; Eleuterio Alvarez; Celia Maya; Philip P. Power; Ernesto Carmona
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3954 - 3956
• a: 8.3268 ± 0.0004 Å
• b: 20.3348 ± 0.0009 Å
• c: 11.127 ± 0.0004 Å
• α: 90°
• β: 98.516 ± 0.002°
• γ: 90°
• Cell volume: 1863.29 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No