Information card for entry 4064754

Structure parameters

• Formula: C75 H89 Ga N4 Zn
• Calculated formula: C76 H89 Ga N4 Zn
• SMILES: C12=C(c3c4c1cccc4ccc3)N(=[Ga](N2c1c(cccc1C(C)C)C(C)C)[Zn]1N(C2(C(c3c4c2cccc4ccc3)=[N]1c1c(cccc1C(C)C)C(C)C)CCCC)c1c(cccc1C(C)C)C(C)C)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: 19.796 ± 0.005 Å
• b: 13.911 ± 0.005 Å
• c: 24.521 ± 0.005 Å
• α: 90°
• β: 95.272 ± 0.005°
• γ: 90°
• Cell volume: 6724 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1801
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No