Information card for entry 1514718

Structure parameters

• Formula: C37 H49.95 Ga Mn N2 O2
• Calculated formula: C37 H49.95 Ga Mn N2 O2
• SMILES: [O]#C[Mn]12345(C#[O])([H][GaH]65N(C(=CC(=[N]6c5c(cccc5C(C)C)C(C)C)C)C)c5c(cccc5C(C)C)C(C)C)[cH]5[cH]3[c]4([cH]2[cH]15)C
• 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: 10.1814 ± 0.0002 Å
• b: 20.4882 ± 0.0004 Å
• c: 16.7346 ± 0.0003 Å
• α: 90°
• β: 103.158 ± 0.0011°
• γ: 90°
• Cell volume: 3399.16 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1473
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections: 0.2096
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0437
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No