Information card for entry 4079282

Structure parameters

• Formula: C23 H20 Cl Mn N4 O7
• Calculated formula: C23 H20 Cl Mn N4 O7
• SMILES: [Mn]1([n]2ccccc2c2cccc[n]12)(C#[O])(C#[O])(C#[O])=C(Nc1ccccc1)N1CCC1.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: 8.6205 ± 0.0008 Å
• b: 10.2963 ± 0.0013 Å
• c: 14.1706 ± 0.0015 Å
• α: 85.667 ± 0.005°
• β: 81.03 ± 0.004°
• γ: 65.265 ± 0.003°
• Cell volume: 1128.3 ± 0.2 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: 0.0502
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No