Information card for entry 4079281

Structure parameters

• Common name: LG-65-B
• Formula: C22 H22 Cl Mn N4 O6
• Calculated formula: C22 H22 Cl Mn N4 O6
• SMILES: [Mn]1([n]2ccccc2c2[n]1cccc2)(C#[N]c1c(cccc1C)C)([NH2]C)(C#[O])C#[O].Cl(=O)(=O)(=O)[O-]
• Title of publication: Divergent Reactivity of Mixed-Ligand Manganese(I) Carbonyl‒Isocyanide Complexes toward Primary Amines
• Authors of publication: Ruiz, Javier; Garc\?ía, Lucía; Mejuto, Carmen; Perandones, Bernabé F.; Vivanco, Marilín
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6420
• a: 9.2685 ± 0.0016 Å
• b: 9.6887 ± 0.0017 Å
• c: 14.218 ± 0.003 Å
• α: 109.083 ± 0.002°
• β: 100.883 ± 0.003°
• γ: 97.698 ± 0.002°
• Cell volume: 1158.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No