Information card for entry 1548132

Structure parameters

• Formula: C44 H42 Mn
• Calculated formula: C44 H42 Mn
• SMILES: [Mn](c1c(cccc1c1c(cccc1C)C)c1c(cccc1C)C)c1c(cccc1c1c(cccc1C)C)c1c(cccc1C)C
• Title of publication: Dehydrocoupling of dimethylamine‒borane promoted by manganese(ii) m-terphenyl complexes
• Authors of publication: Sharpe, Helen R.; Geer, Ana M.; Blundell, Toby J.; Hastings, Fiona R.; Fay, Michael W.; Rance, Graham A.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 229
• a: 10.52378 ± 0.00008 Å
• b: 10.52378 ± 0.00008 Å
• c: 30.7376 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3404.19 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No