Information card for entry 2211376

Structure parameters

• Formula: C15 H27 Mo N3 O5
• Calculated formula: C15 H27 Mo N3 O5
• SMILES: [Mo]1(OC(=O)C[NH2]1)([N]#CC)(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC
• Title of publication: Tetraethylammonium acetonitriletricarbonyl(glycinato-κ^2^<i>N</i>,<i>O</i>)molybdenum(0)
• Authors of publication: Klausmeyer, Kevin K.; Adrian, Rafael A.; Yaklin, Marsha M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3368 - m3369
• a: 12.0407 ± 0.0008 Å
• b: 12.8897 ± 0.0008 Å
• c: 23.4746 ± 0.0014 Å
• α: 90°
• β: 97.177 ± 0.001°
• γ: 90°
• Cell volume: 3614.7 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes