Information card for entry 4107338

Structure parameters

• Formula: C36 H57 Mo N3 O4
• Calculated formula: C36 H57 Mo N3 O4
• SMILES: [Mo]12(Oc3c(c4c2c(ccc4)c2cccc(c2O1)C(C)(C)C)cccc3C(C)(C)C)(N(C)C)([NH](C)C)[NH](C)C.O(C)CCOC
• Title of publication: Synthesis, Characterization, and Reactivity of a d2, Mo(IV) Complex Supported by a New OCO-Trianionic Pincer Ligand
• Authors of publication: Soumya Sarkar; Adam R. Carlson; Melanie K. Veige; Joseph M. Falkowski; Khalil A. Abboud; Adam S. Veige
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1116 - 1117
• a: 8.5921 ± 0.001 Å
• b: 11.8394 ± 0.0014 Å
• c: 18.796 ± 0.002 Å
• α: 87.278 ± 0.002°
• β: 89.349 ± 0.002°
• γ: 69.916 ± 0.002°
• Cell volume: 1793.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No