Information card for entry 4083101

Structure parameters

• Chemical name: W(dppe)(depp)(N2)2
• Formula: C37 H50 N4 P4 W
• Calculated formula: C37 H50 N4 P4 W
• SMILES: [W]12([P](CC)(CC)CCC[P]1(CC)CC)([P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)([N]#N)[N]#N
• Title of publication: Protonation Studies of a Tungsten Dinitrogen Complex Supported by a Diphosphine Ligand Containing a Pendant Amine
• Authors of publication: Weiss, Charles J.; Egbert, Jonathan D.; Chen, Shentan; Helm, Monte L.; Bullock, R. Morris; Mock, Michael T.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2189
• a: 10.2989 ± 0.0005 Å
• b: 11.3445 ± 0.0006 Å
• c: 16.4933 ± 0.0009 Å
• α: 84.141 ± 0.003°
• β: 88.811 ± 0.003°
• γ: 69.786 ± 0.003°
• Cell volume: 1798.66 ± 0.17 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 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 all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No