Information card for entry 4337284

Structure parameters

• Formula: C61 H53 Ag6 Cl2 F15 N6 O9 S9
• Calculated formula: C61 H53 Ag6 Cl2 F15 N6 O9 S9
• SMILES: c1c2CC[S](c3ccc(F)cc3)[Ag][S](c3ccc(F)cc3)CCc1[n]1n2[Ag][n]2c3cc(CC[S]([Ag][S](c4ccc(cc4)F)CC3)c3ccc(cc3)F)n2[Ag][n]2c3c4c(n2[Ag]1)CC[S](c1ccc(cc1)F)[Ag]4[S](CC3)c1ccc(cc1)F.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl.[O-]S(=O)(=O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F
• Title of publication: Crowning of coinage metal pyrazolates: double-decker homo- and heteronuclear complexes with synergic emissive properties.
• Authors of publication: Veronelli, Mattia; Kindermann, Nicole; Dechert, Sebastian; Meyer, Steffen; Meyer, Franc
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 2333 - 2341
• a: 14.9374 ± 0.0005 Å
• b: 16.5649 ± 0.0006 Å
• c: 18.5377 ± 0.0006 Å
• α: 112.851 ± 0.002°
• β: 101.668 ± 0.003°
• γ: 107.282 ± 0.003°
• Cell volume: 3764 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No