Information card for entry 4102987

Structure parameters

• Formula: C36 H50 Mo N4
• Calculated formula: C36 H50 Mo N4
• SMILES: [Mo]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: 9.4556 ± 0.0007 Å
• b: 11.328 ± 0.0008 Å
• c: 16.6763 ± 0.0012 Å
• α: 77.4608 ± 0.0009°
• β: 78.9713 ± 0.001°
• γ: 72.9418 ± 0.0009°
• Cell volume: 1651.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0406
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No