Information card for entry 7043040

Structure parameters

• Formula: C49 H78 Ga N2 P Si
• Calculated formula: C49 H78 Ga N2 P Si
• SMILES: c1n(c(c[n+]1c1c(cccc1C(C)C)C(C)C)[Ga](C(C)(C)C)(C(C)(C)C)P[Si](C(C)(C)C)(C(C)(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Improved reactivity of a cyclic 13/15 compound by increased steric demand
• Authors of publication: Balmer, Markus; Kapitein, Manuel; von Hänisch, Carsten
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.201 ± 0.0006 Å
• b: 12.2926 ± 0.0005 Å
• c: 29.8776 ± 0.0013 Å
• α: 90°
• β: 96.708 ± 0.002°
• γ: 90°
• Cell volume: 4815.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0714
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No