Information card for entry 1569819

Structure parameters

• Formula: C77 H70 F3 N8 O3 Pt2 S
• Calculated formula: C77 H70 F3 N8 O3 Pt2 S
• SMILES: [Pt]12(c3c(N(c4[n]2c(c2[n]1cc1[C@H]5C(C)([C@@H](Cc1c2)C5)C)ccc4)c1ccccc1)cccc3)C#[N]c1c(C)cccc1C.[Pt]12([n]3c(N(c4ccccc4)c4ccccc24)cccc3c2[n]1cc1c(c2)C[C@@H]2C(C)(C)[C@H]1C2)C#[N]c1c(C)cccc1C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis and Biological Activities of Luminescent 5,6-Membered Bis(Metallacyclic) Platinum(II) Complexes
• Authors of publication: Jing, Jing; Yu, Miao; Pan, Lei; Zhao, Yang; Xu, Guo; Zhang, Hua-Hong; Li, Chen; Zhang, Xiao-Peng
• Journal of publication: Molecules
• Year of publication: 2023
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 6369
• a: 7.2605 ± 0.0002 Å
• b: 14.3218 ± 0.0003 Å
• c: 18.004 ± 0.0003 Å
• α: 70.891 ± 0.002°
• β: 86.709 ± 0.002°
• γ: 84.755 ± 0.002°
• Cell volume: 1760.8 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No