Information card for entry 4076535

Structure parameters

• Formula: C31 H54 N5 P3 W
• Calculated formula: C31 H54 N5 P3 W
• SMILES: [W]12([P](C(C)(C)C)(C(C)(C)C)Cc3[n]2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)([P](C)(C)c1ccccc1)([N]#N)[N]#N
• 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: 10.6999 ± 0.0006 Å
• b: 13.0508 ± 0.0006 Å
• c: 13.9197 ± 0.0007 Å
• α: 73.1991 ± 0.0012°
• β: 79.6971 ± 0.0015°
• γ: 69.3292 ± 0.0014°
• Cell volume: 1734.6 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No