Information card for entry 7000681

Structure parameters

• Formula: C37 H52 N6 Y2
• Calculated formula: C37 H52 N6 Y2
• Title of publication: Synthesis and structures of titanium and yttrium complexes with N,N′-tetramethylguanidinate ligands: different reactivity of the M‒N bonds toward phenyl isocyanate
• Authors of publication: Zhang, Jie; Han, Fuyan; Han, Yanan; Chen, Zhenxia; Zhou, Xigeng
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 10
• Pages of publication: 1806 - 1811
• a: 14.655 ± 0.008 Å
• b: 15.235 ± 0.008 Å
• c: 16.563 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3698 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1691
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No