Information card for entry 4066141

Structure parameters

• Formula: C38 H66 N6 Zn2
• Calculated formula: C38 H66 N6 Zn2
• SMILES: C(C)[Zn]12[N](c3ccc(cc3)C(C)(C)C)(C(=[N]2C(C)C)NC(C)C)[Zn]2(CC)[N]1(C(=[N]2C(C)C)NC(C)C)c1ccc(cc1)C(C)(C)C
• Title of publication: Simple, Versatile, and Efficient Catalysts for Guanylation of Amines
• Authors of publication: Alonso-Moreno, Carlos; Carrillo-Hermosilla, Fernando; Garcés, Andrés; Otero, Antonio; López-Solera, Isabel; Rodríguez, Ana M.; Antiñolo, Antonio
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2789
• a: 12.392 ± 0.004 Å
• b: 9.546 ± 0.003 Å
• c: 17.778 ± 0.005 Å
• α: 90°
• β: 96.214 ± 0.007°
• γ: 90°
• Cell volume: 2090.7 ± 1.1 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 4
• 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: 0.0666
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No