Information card for entry 7715192

Structure parameters

• Formula: C29 H24 Br Mn N5 O2 P
• Calculated formula: C29 H24 Br Mn N5 O2 P
• SMILES: Br[Mn]12([P](CN(c3[n]2c(c2[n]1nn(c2)c1ccccc1)ccc3)C)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• 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: 18.7073 ± 0.0013 Å
• b: 8.3671 ± 0.0006 Å
• c: 18.467 ± 0.0011 Å
• α: 90°
• β: 110.297 ± 0.002°
• γ: 90°
• Cell volume: 2711.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No