Information card for entry 1514722

Structure parameters

• Formula: C33 H42 Ga Mn N2 O4
• Calculated formula: C33 H42 Ga Mn N2 O4
• Title of publication: Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}
• Authors of publication: Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 4245
• a: 8.86 ± 0.0001 Å
• b: 21.5544 ± 0.0002 Å
• c: 9.0818 ± 0.0001 Å
• α: 90°
• β: 108.601 ± 0.0004°
• γ: 90°
• Cell volume: 1643.77 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No