Information card for entry 4064756

Structure parameters

• Formula: C62 H82 Ga La N2 O
• Calculated formula: C62 H82 Ga La N2 O
• SMILES: C12=C(c3c4c1cccc4ccc3)N([Ga](N2c1c(cccc1C(C)C)C(C)C)[La]12345678([c]9([c]4([c]3([c]2([c]19C)C)C)C)CC)([c]1(CC)[c]5([c]6([c]7([c]81C)C)C)C)[O]1CCCC1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Compounds with Direct Gallium‒Lanthanum and Gallium‒Zinc Bonds
• Authors of publication: Fedushkin, Igor L.; Lukoyanov, Anton N.; Tishkina, Alexandra N.; Maslov, Maxim O.; Ketkov, Sergey Yu.; Hummert, Markus
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 13
• Pages of publication: 3628
• a: 18.9721 ± 0.0003 Å
• b: 12.3265 ± 0.0002 Å
• c: 23.8937 ± 0.0004 Å
• α: 90°
• β: 102.323 ± 0.002°
• γ: 90°
• Cell volume: 5459.03 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1207
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No