Information card for entry 4080607

Structure parameters

• Chemical name: [K(18-crown-6)][(eta5-As3C2H2)Mo(CO)3]
• Formula: C17 H26 As3 K Mo O9
• Calculated formula: C17 H26 As3 K Mo O9
• Title of publication: Synthesis and Characterization of Free and Coordinated 1,2,3-Tripnictolide Anions
• Authors of publication: Turbervill, Robert S. P.; Jupp, Andrew R.; McCullough, Phillip S. B.; Ergöçmen, Doruk; Goicoechea, Jose M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 7
• Pages of publication: 2234
• a: 8.8791 ± 0.0001 Å
• b: 16.5362 ± 0.0002 Å
• c: 17.0138 ± 0.0002 Å
• α: 90°
• β: 96.747 ± 0.001°
• γ: 90°
• Cell volume: 2480.78 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No