Information card for entry 7715193

Structure parameters

• Formula: C30 H24 B F4 Mn N5 O3 P
• Calculated formula: C30 H24 B F4 Mn N5 O3 P
• SMILES: [Mn]12([P](c3ccccc3)(c3ccccc3)CN(c3[n]1c(c1[n]2nn(c1)c1ccccc1)ccc3)C)(C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-]
• Title of publication: Catalytic utility of PNN-based Mn^I pincer complexes in the synthesis of quinolines and transfer hydrogenation of carbonyl derivatives.
• Authors of publication: Mohite, Manali A.; Sheokand, Sonu; Mondal, Dipanjan; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5580 - 5591
• a: 8.9264 ± 0.0003 Å
• b: 13.0268 ± 0.0003 Å
• c: 13.0647 ± 0.0003 Å
• α: 90.87 ± 0.002°
• β: 102.085 ± 0.002°
• γ: 94.427 ± 0.002°
• Cell volume: 1480.33 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No