Information card for entry 4107145

Structure parameters

• Chemical name: Cmpd 7
• Formula: C19 H32 Mo N4 O2
• Calculated formula: C19 H32 Mo N4 O2
• SMILES: [Mo]12345(N=C=O)(N=O)([N](=C(N1C(C)C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Carbon Monoxide-Induced N-N Bond Cleavage of Nitrous Oxide That Is Competitive with Oxygen Atom Transfer to Carbon Monoxide As Mediated by a Mo(II)/Mo(IV) Catalytic Cycle
• Authors of publication: Jonathan P. Reeds; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 18602 - 18605
• a: 9.1178 ± 0.0004 Å
• b: 13.4299 ± 0.0006 Å
• c: 17.0872 ± 0.0008 Å
• α: 90°
• β: 90.568 ± 0.001°
• γ: 90°
• Cell volume: 2092.24 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0159
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0375
• 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