Information card for entry 4331520

Structure parameters

• Formula: C150 H106 Cu6 F36 N18 O12
• Calculated formula: C150 H106 Cu6 F36 N18 O12
• SMILES: c1ccc2C3=c4ccc[n]4[Cu]4(OC(=CC(C(F)(F)F)=[O]4)C(F)(F)F)(n12)[n]1ccc(C2=c4[n](ccc4)[Cu]4([n]5ccc(C6=c7[n](ccc7)[Cu]7([n]8ccc(C9=c%10ccc[n]%10[Cu]%10(n%11c9ccc%11)([n]9ccc(C%11=c%12[n]([Cu]%13([n]%14ccc(C%15=c%16[n](ccc%16)[Cu]%16([n]%17ccc3c3c%17cccc3)(n3c%15ccc3)[O]=C(C(F)(F)F)C=C(O%16)C(F)(F)F)c3c%14cccc3)([O]=C(C(F)(F)F)C=C(O%13)C(F)(F)F)n3cccc%113)ccc%12)c3c9cccc3)OC(=CC(=[O]%10)C(F)(F)F)C(F)(F)F)c3c8cccc3)(n3c6ccc3)[O]=C(C(F)(F)F)C=C(O7)C(F)(F)F)c3c5cccc3)(n3c2ccc3)[O]=C(C(F)(F)F)C=C(O4)C(F)(F)F)c2c1cccc2.CCCCCC.CCCCCC
• Title of publication: Self-Assembly of Heteroleptic [Cu(dipyrrinato)(hfacac)] Complexes Directed by Fluorine−Fluorine Interactions
• Authors of publication: Halper, Sara R.; Cohen, Seth M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4139 - 4141
• a: 22.6062 ± 0.0013 Å
• b: 21.8773 ± 0.0012 Å
• c: 31.0283 ± 0.0017 Å
• α: 90°
• β: 93.968 ± 0.001°
• γ: 90°
• Cell volume: 15308.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No