Information card for entry 7019536

Structure parameters

• Formula: C102 H82 Ag2 Co2 F6 N22 O10 S2
• Calculated formula: C102 H82 Ag2 Co2 F6 N22 O10 S2
• SMILES: c1ccc2C(=c3ccc[n]3[Co]345(n12)n1cccc1C(=c1[n]3ccc1)c1cc[n]([Ag]([n]2ccc(C3=CC(=[O][Co]67([n]8cccc8=C(c8cccn68)c6ccncc6)([n]6cccc6=C(c6n7ccc6)c6cc[n]([Ag]([n]7ccc(C(=CC(=[O]4)c4ccncc4)O5)cc7)[N]#CC)cc6)O3)c3ccncc3)cc2)[N]#CC)cc1)c1ccncc1.FC(F)(F)S(=O)(=O)[O-].C(#N)C.C(#N)C.c1ccccc1.FC(F)(F)S(=O)(=O)[O-].C(#N)C.C(#N)C
• Title of publication: Heterometallic coordination polymers incorporating dipyrrin based heteroleptic copper and cobalt complexes: to Ag-π or not?
• Authors of publication: Béziau, Antoine; Baudron, Stéphane A; Hosseini, Mir Wais
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 7227 - 7234
• a: 12.4775 ± 0.0009 Å
• b: 14.1836 ± 0.001 Å
• c: 14.2334 ± 0.0011 Å
• α: 92.645 ± 0.002°
• β: 101.045 ± 0.002°
• γ: 103.095 ± 0.003°
• Cell volume: 2397.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2398
• Weighted residual factors for all reflections included in the refinement: 0.2539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No