Information card for entry 4321708

Structure parameters

• Formula: C36 H50 F6 N2 O6.5 P4 S2 W
• Calculated formula: C36 H50 F6 N2 O6.5 P4 S2 W
• Title of publication: Formation of Ammonia in the Reactions of a Tungsten Dinitrogen with Ruthenium Dihydrogen Complexes under Mild Reaction Conditions1
• Authors of publication: Yoshiaki Nishibayashi; Shin Takemoto; Shotaro Iwai; Masanobu Hidai
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5946 - 5957
• a: 11.818 ± 0.005 Å
• b: 33.978 ± 0.006 Å
• c: 12.163 ± 0.004 Å
• α: 90°
• β: 109.24 ± 0.02°
• γ: 90°
• Cell volume: 4611 ± 3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 8
• 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: 0.0386
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.678
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No