Information card for entry 2007167

Structure parameters

• Formula: C12 H18 Mo N4 O4
• Calculated formula: C12 H18 Mo N4 O4
• SMILES: [Mo]12(OC([n]3[n]1ccc3)(C)C)(OC([n]1[n]2ccc1)(C)C)(=O)=O
• Title of publication: A <i>cis</i>-Dioxomolybdenum(VI) Complex, [Mo{N~2~C~3~H~3~C(Me)~2~O}~2~(O)~2~]
• Authors of publication: Ehlert, Martin K.; Rettig, Steven J.; Storr, Alan; Trotter, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 473 - 475
• a: 14.381 ± 0.003 Å
• b: 7.697 ± 0.003 Å
• c: 14.2869 ± 0.0012 Å
• α: 90°
• β: 100.801 ± 0.01°
• γ: 90°
• Cell volume: 1553.4 ± 0.7 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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 significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No