Information card for entry 2010516

Structure parameters

• Formula: C15 H12 Mo N2 O4
• Calculated formula: C15 H12 Mo N2 O4
• SMILES: [Mo]12([n]3c(C[O]2Cc4[n]1cccc4)cccc3)(C#[O])(C#[O])C#[O]
• Title of publication: <i>fac</i>-Tricarbonyl[bis(2-pyridylmethyl) ether-<i>N</i>,<i>O</i>,<i>N</i>']molybdenum(0)
• Authors of publication: Nanty, Dominique; Laurent, Marc; Khan, Masood A.; Ashby, Michael T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 35 - 36
• a: 13.864 ± 0.001 Å
• b: 13.339 ± 0.001 Å
• c: 16.464 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3044.7 ± 0.4 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for all reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes