Information card for entry 4102988

Structure parameters

• Formula: C36 H50 N4 W
• Calculated formula: C36 H50 N4 W
• SMILES: [W]12345([N](=C(N1C(C)C)C)C(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)(C#[N]c1c(cccc1C)C)C#[N]c1c(cccc1C)C
• Title of publication: Dinitrogen Complexation and Extent of N\τbN Activation within the Group 6 "End-On-Bridged" Dinuclear Complexes, {(η5-C5Me5)M[N(i-Pr)C(Me)N(i-Pr)]}2(μ-η1:η1-N2) (M = Mo and W)
• Authors of publication: Philip P. Fontaine; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12273 - 12285
• a: 9.4665 ± 0.0005 Å
• b: 11.3904 ± 0.0006 Å
• c: 16.7481 ± 0.0009 Å
• α: 77.4871 ± 0.0005°
• β: 79.3452 ± 0.0005°
• γ: 72.7116 ± 0.0005°
• Cell volume: 1669.23 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No