Information card for entry 7034243

Structure parameters

• Chemical name: (2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]-<i>N</i>-{2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]ethyl}ethanamine-κ<i>N</i>)(carbonyl)(formato-κ<i>O</i>)(nitrosyl)tungsten tetrahydrofuran solvate (8/1)
• Formula: C148 H312 N16 O33 P16 W8
• Calculated formula: C148 H312 N16 O33 P16 W8
• Title of publication: Ligand assisted carbon dioxide activation and hydrogenation using molybdenum and tungsten amides.
• Authors of publication: Chakraborty, Subrata; Blacque, Olivier; Berke, Heinz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6560 - 6570
• a: 36.3651 ± 0.0006 Å
• b: 36.3651 ± 0.0006 Å
• c: 14.855 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19644.6 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No