Information card for entry 2019950

Structure parameters

• Chemical name: <i>fac</i>-Tricarbonyl(2-{[2-(1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)ethyl]iminomethyl}-5-methylphenolato-κ<i>O</i>)manganese(I)
• Formula: C16 H14 Mn N3 O4
• Calculated formula: C16 H14 Mn N3 O4
• SMILES: [Mn]12([N](=Cc3c(O2)cc(C)cc3)CCc2[n]1c[nH]c2)(C#[O])(C#[O])C#[O]
• Title of publication: Structural comparison of group 7 tricarbonyl complexes of 2-{[2-(1H-imidazol-4-yl)ethyl]iminomethyl}-5-methylphenolate
• Authors of publication: Marake, Daniel T.; Mokolokolo, Penny P.; Visser, Hendrik G.; Brink, Alice
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• a: 7.4262 ± 0.0011 Å
• b: 9.0038 ± 0.0012 Å
• c: 13.078 ± 0.0018 Å
• α: 108.494 ± 0.004°
• β: 104.058 ± 0.005°
• γ: 93.363 ± 0.004°
• Cell volume: 795.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0306
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes