Information card for entry 7248519

Structure parameters

• Formula: C24 H20 F3 N3 O2 Pt
• Calculated formula: C24 H20 F3 N3 O2 Pt
• SMILES: C1(=[N](c2ccc(cc2)F)[Pt]2(c3c(N1)ccc(c3)F)OC(=CC(=[O]2)C)C)Nc1ccc(cc1)F
• Title of publication: Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands
• Authors of publication: Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 13291 - 13305
• a: 10.2195 ± 0.0004 Å
• b: 10.2608 ± 0.0005 Å
• c: 21.3421 ± 0.0008 Å
• α: 90°
• β: 90.459 ± 0.003°
• γ: 90°
• Cell volume: 2237.87 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No