Information card for entry 7228599

Structure parameters

• Formula: C170 H158 Ag4 As4 B4 Cl6 F32 N16 O8
• Calculated formula: C170 H158 Ag4 As4 B4 Cl6 F32 N16 O8
• SMILES: [B]1(F)(F)[n]2c3cc(c2=C(c2c(cc(n12)C=Cc1ccc(cc1)C#[N][Ag]([N]#Cc1ccc(C=Cc2n4[B](F)(F)[n]5c(cc(c5=C(c4c(c2)C)c2c(cc(cc2C)C)C)C)C=Cc2ccc(cc2)C#[N][Ag]([N]#Cc2ccc(C=C3)cc2)([O]=C(OCC)C)[Ag]2([N]#Cc3ccc(C=Cc4cc(c5C(=c6c(cc([n]6[B](F)(F)n45)C=Cc4ccc(cc4)C#[N][Ag]([N]#Cc4ccc(C=Cc5n6[B](F)(F)[n]7c(cc(c7=C(c6c(c5)C)c5c(cc(cc5C)C)C)C)C=Cc5ccc(cc5)C#[N]2)cc4)[O]=C(OCC)C)C)c2c(cc(cc2C)C)C)C)cc3)[O]=C(OCC)C)cc1)[O]=C(OCC)C)C)c1c(cc(cc1C)C)C)C.F[As](F)(F)(F)([F-])F.[As](F)(F)(F)(F)(F)[F-].C(Cl)(Cl)Cl.F[As](F)(F)(F)([F-])F.[As](F)(F)(F)(F)(F)[F-].C(Cl)(Cl)Cl
• Title of publication: Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state
• Authors of publication: Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 12.7233 ± 0.0005 Å
• b: 14.9725 ± 0.0006 Å
• c: 23.8231 ± 0.001 Å
• α: 90.384 ± 0.002°
• β: 91.008 ± 0.002°
• γ: 103.876 ± 0.002°
• Cell volume: 4404.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.17
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No