Information card for entry 4080608

Structure parameters

• Chemical name: [K(18-crown-6)(THF)][Mo(P3C2Ph2)(CO)3]
• Formula: C33 H42 K Mo O10 P3
• Calculated formula: C33 H42 K Mo O10 P3
• 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: 10.3755 ± 0.0004 Å
• b: 10.8188 ± 0.0004 Å
• c: 17.8646 ± 0.0006 Å
• α: 78.429 ± 0.003°
• β: 79.284 ± 0.003°
• γ: 73.683 ± 0.003°
• Cell volume: 1867.43 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No