Information card for entry 7107577

Structure parameters

• Formula: C28 H30 Mo2 O6
• Calculated formula: C28 H30 Mo2 O6
• SMILES: [Mo]1234[Mo]([O]=C(O1)C)(OC(=[O]2)C)([O]=C(O3)C)c1c(cccc1c1c(cccc1C)C)C1=C(C=C[CH]=[C]41C)C
• 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: 8.3595 ± 0.0004 Å
• b: 9.8309 ± 0.0004 Å
• c: 16.4231 ± 0.0007 Å
• α: 104.22 ± 0.002°
• β: 96.024 ± 0.002°
• γ: 91.87 ± 0.001°
• Cell volume: 1298.7 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No