Information card for entry 7716153

Structure parameters

• Formula: C43 H34 Dy F3 N5 O5 P
• Calculated formula: C43 H34 Dy F3 N5 O5 P
• SMILES: [Dy]12345(OC(=N[N]3=C(c3[n]4c(ccc3)C(=[N]5N=C(O1)c1ccccc1)C)C)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=[O]2)C(F)(F)F
• Title of publication: Eight-coordinate mono- and dinuclear Dy(III) complexes containing a rigid equatorial plane and an anisobidentate carboxylate ligand in the axial position: synthesis, structure and magnetism.
• Authors of publication: Kalita, Pankaj; Kumari, Kusum; Kumar, Pawan; Kumar, Vierandra; Singh, Saurabh Kumar; Rogez, Guillaume; Chandrasekhar, Vadapalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 25
• Pages of publication: 10521 - 10535
• a: 11.1068 ± 0.0006 Å
• b: 11.8584 ± 0.0005 Å
• c: 16.9438 ± 0.0005 Å
• α: 88.99 ± 0.003°
• β: 83.329 ± 0.003°
• γ: 62.514 ± 0.005°
• Cell volume: 1964.7 ± 0.17 ų
• Cell temperature: 120 ± 10 K
• Ambient diffraction temperature: 120 ± 10 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No