Information card for entry 7718568

Structure parameters

• Formula: C50 H34 Cl6 Mg N4 O2
• Calculated formula: C50 H34 Cl6 Mg N4 O2
• Title of publication: Acetylacetone as an axial ligand in metalloporphyrin: its first crystal structure, coordination chemistry, and potential application as an efficient photosensitizer.
• Authors of publication: Choudhury, Abdul K.; Bhuyan, Jagannath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 8932 - 8944
• a: 16.0396 ± 0.0012 Å
• b: 17.9001 ± 0.0012 Å
• c: 16.5444 ± 0.0011 Å
• α: 90°
• β: 108.004 ± 0.008°
• γ: 90°
• Cell volume: 4517.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1284
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.2453
• Weighted residual factors for all reflections included in the refinement: 0.2861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No