Information card for entry 4075583

Structure parameters

• Formula: C35 H43 Mo2 N3 O S2
• Calculated formula: C35 H43 Mo2 N3 O S2
• SMILES: C[S]1[Mo]2345678(C(NC(C)(C)C)=[O][Mo]9%10%11%12%1318(=[C]=6N(c1c(cccc1C)C)C(=N\c1c(cccc1C)C)\[c]19[cH]%10[cH]%11[cH]%12[cH]%131)[S]7C)[cH]1[cH]2[cH]3[cH]4[cH]51
• 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: 16.2946 ± 0.0008 Å
• b: 13.4907 ± 0.0006 Å
• c: 16.0487 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3527.9 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No