Information card for entry 4102984

Structure parameters

• Common name: cmpd4
• Formula: C36 H66 Mo2 N6
• Calculated formula: C36 H66 Mo2 N6
• SMILES: [N]([MoH]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[N](=C(C)N5C(C)C)C(C)C)#[N][MoH]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[N](=C(C)N5C(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: 9.6215 ± 0.0005 Å
• b: 15.9429 ± 0.0008 Å
• c: 13.061 ± 0.0006 Å
• α: 90°
• β: 104.501 ± 0.001°
• γ: 90°
• Cell volume: 1939.66 ± 0.17 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No