Information card for entry 7245927

Structure parameters

• Formula: C80 Cu4 F48 N6 O24
• Calculated formula: C80 Cu4 F48 N6 O24
• SMILES: [Cu]123([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)[n]1ccc(COc2c(OC)ccc(c2)C2=N(=[O][Cu]45(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)C(C([N]2=[O][Cu]24([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O4)C(F)(F)F)[n]2ccc(COc4c(OC)ccc(c4)C4=N(=[O][Cu]56(OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]6)C(F)(F)F)C(F)(F)F)C(C([N]4=[O]3)(C)C)(C)C)cc2)(C)C)(C)C)cc1
• Title of publication: Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain
• Authors of publication: Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 403 - 416
• a: 12.2932 ± 0.0006 Å
• b: 13.6174 ± 0.0006 Å
• c: 16.6873 ± 0.0008 Å
• α: 110.386 ± 0.002°
• β: 93.646 ± 0.002°
• γ: 100.428 ± 0.002°
• Cell volume: 2550.8 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 192.98 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2768
• Weighted residual factors for all reflections included in the refinement: 0.3032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No