Information card for entry 7040782

Structure parameters

• Formula: C116 H184 B10 Cl20 Cu14 F40 N48
• Calculated formula: C116 H184 B10 Cl20 Cu14 F40 N48
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1cc2[n]3[Cu]45[Cu]67[n]8c(ccc1c38)[N](=C(N(C)C)N(C)C)[Cu]7[N](c1ccc3ccc([n]5c3[n]61)[N]([Cu]4[N]2=C(N(C)C)N(C)C)=C(N(C)C)N(C)C)=C(N(C)C)N(C)C.c1cc2ccc3[n]4c2[n]2c1[N](=C(N(C)C)N(C)C)[Cu]1[N](c5ccc6ccc7[n]8[Cu]4([Cu]21[n]5c68)[Cu]([N]3=C(N(C)C)N(C)C)[N]7=C(N(C)C)N(C)C)=C(N(C)C)N(C)C.c12ccc3ccc4[n]5c3[n]1[Cu]1367[n]8c9ccc%10ccc%11[n](c8%10)[Cu]856([Cl][Cu]57[Cl][Cu]15([N]2=C(N(C)C)N(C)C)[N]9=C(N(C)C)N(C)C)[Cu]1([N]%11=C(N(C)C)N(C)C)([N]4=C(N(C)C)N(C)C)[Cl][Cu]81[Cl]3.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.ClCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Construction of copper chains with new fluorescent guanidino-functionalized naphthyridine ligands.
• Authors of publication: Krämer, Christoph; Leingang, Simone; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16966 - 16983
• a: 12.7803 ± 0.0003 Å
• b: 15.1583 ± 0.0004 Å
• c: 23.8968 ± 0.0006 Å
• α: 100.103 ± 0.002°
• β: 100.29 ± 0.002°
• γ: 91.496 ± 0.002°
• Cell volume: 4476.5 ± 0.2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No