Information card for entry 7249226

Structure parameters

• Formula: C28 H42 N6 O4 Zr
• Calculated formula: C28 H42 N6 O4 Zr
• Title of publication: Ti and Zr complexes bearing guanidine-phenolate ligands: coordination chemistry and polymerization studies
• Authors of publication: Flores-Romero, Víctor; LeBlanc, Jesse; Chen, Zichuan; Lavoie, Gino G.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 35
• Pages of publication: 25889 - 25899
• a: 9.6548 ± 0.0004 Å
• b: 15.7838 ± 0.0006 Å
• c: 19.7193 ± 0.0007 Å
• α: 90°
• β: 90.246 ± 0.002°
• γ: 90°
• Cell volume: 3005 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0976
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No