Information card for entry 4337536

Structure parameters

• Chemical name: Tetraethylammonium Chloropentacarbonyltungstate(0)
• Formula: C13 H20 Cl N O5 W
• Calculated formula: C13 H20 Cl N O5 W
• Title of publication: Element misidentification in X-ray crystallography: a reassessment of the [MCl2(diazadiene)] (M = Cr, Mo, W) series.
• Authors of publication: Greene, Angelique F.; Chandrasekaran, P.; Yan, Yong; Mague, Joel T.; Donahue, James P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 308 - 317
• a: 12.3637 ± 0.0009 Å
• b: 7.6175 ± 0.0006 Å
• c: 18.332 ± 0.0014 Å
• α: 90°
• β: 102.966 ± 0.001°
• γ: 90°
• Cell volume: 1682.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0175
• Residual factor for significantly intense reflections: 0.0141
• Weighted residual factors for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.0342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No