Information card for entry 4303471

Structure parameters

• Formula: C32 H46 Cl Mo N O3 S
• Calculated formula: C32 H46 Cl Mo N O3 S
• Title of publication: Molybdenum(VI) Dioxo Complexes with Tridentate Phenolate Ligands
• Authors of publication: Martina E. Judmaier; Andreas Wallner; Gregor N. Stipicic; Karl Kirchner; Judith Baumgartner; Ferdinand Belaj; Nadia C. Mösch-Zanetti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10211 - 10221
• a: 10.33 ± 0.002 Å
• b: 11.243 ± 0.002 Å
• c: 14.653 ± 0.003 Å
• α: 90°
• β: 108.19 ± 0.03°
• γ: 90°
• Cell volume: 1616.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No