Information card for entry 4076534

Structure parameters

• Formula: C27 H51 Cl3 N O P2 W
• Calculated formula: C27 H43 Cl3 N O P2 W
• Title of publication: Synthesis and Protonation of Molybdenum‒ and Tungsten‒Dinitrogen Complexes Bearing PNP-Type Pincer Ligands
• Authors of publication: Arashiba, Kazuya; Sasaki, Kouitsu; Kuriyama, Shogo; Miyake, Yoshihiro; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 2035
• a: 29.2304 ± 0.0008 Å
• b: 14.9824 ± 0.0004 Å
• c: 19.7839 ± 0.0005 Å
• α: 90°
• β: 126.287 ± 0.0007°
• γ: 90°
• Cell volume: 6983.8 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No