Information card for entry 7063496

Structure parameters

• Formula: C76 H82 Cl Fe2 N4 O3 P3
• Calculated formula: C76 H82 Cl Fe2 N4 O3 P3
• Title of publication: Ligand redistribution reactions in the syntheses of heterobimetallic rare-earth metal complexes with Co(II) and Fe(II).
• Authors of publication: Du, Jun; Shi, Zhi-Qiang; Wang, Cong; Cui, Peng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 17.77 ± 0.002 Å
• b: 12.4984 ± 0.0012 Å
• c: 33.75 ± 0.004 Å
• α: 90°
• β: 96.105 ± 0.003°
• γ: 90°
• Cell volume: 7453.2 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• 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: 0.128
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No