Information card for entry 7714642

Structure parameters

• Formula: C42 H50 Br2 Mg2 N4 O6
• Calculated formula: C42 H50 Br2 Mg2 N4 O6
• Title of publication: Grignard reagents as deprotonation agents for oxazoline-amido-phenolate ligands: structural and catalytic implications with the role of halogen ions.
• Authors of publication: Chen, Ming-Tsz; Wu, Pei-Zheng; Liao, Chi-Chung; Hung, Kai-Wei; Shen, Pin-Chi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 738 - 745
• a: 9.9392 ± 0.0005 Å
• b: 13.5508 ± 0.0007 Å
• c: 17.0101 ± 0.0009 Å
• α: 102.251 ± 0.002°
• β: 95.511 ± 0.002°
• γ: 104.691 ± 0.002°
• Cell volume: 2138.24 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.118
• 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