Information card for entry 4102982

Structure parameters

• Formula: C36 H64 N6 W2
• Calculated formula: C36 H64 N6 W2
• SMILES: [N]([W]12345([c]6([c]4([c]5([c]1([c]36C)C)C)C)C)[N](=C(C)N2C(C)C)C(C)C)#[N][W]12345([c]6([c]1([c]4([c]5([c]26C)C)C)C)C)[N](=C(C)N3C(C)C)C(C)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: 9.6229 ± 0.0018 Å
• b: 10.344 ± 0.002 Å
• c: 11.664 ± 0.002 Å
• α: 105.2 ± 0.0018°
• β: 99.511 ± 0.0019°
• γ: 114.24 ± 0.0017°
• Cell volume: 971.3 ± 0.3 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: 0.0331
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0671
• 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