Information card for entry 4075582

Structure parameters

• Formula: C35 H43 Mo2 N3 O S2
• Calculated formula: C35 H43 Mo2 N3 O S2
• SMILES: c1(c(cccc1C)C)N1[C]2=[Mo]3456789([cH]%10[cH]6[cH]5[cH]4[cH]3%10)[O]=C([Mo]3456=27([c]2(C\1=N/c1c(cccc1C)C)[cH]3[cH]4[cH]5[cH]62)([S]8C)[S]9C)NC(C)(C)C
• Title of publication: Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes
• Authors of publication: Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 4009
• a: 9.9768 ± 0.0009 Å
• b: 13.286 ± 0.0016 Å
• c: 13.9137 ± 0.0018 Å
• α: 77.796 ± 0.011°
• β: 86.048 ± 0.009°
• γ: 68.941 ± 0.01°
• Cell volume: 1682.2 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No