Information card for entry 4337285

Structure parameters

• Formula: C63 H63 Ag6 B3 F18 N6 O2 S6
• Calculated formula: C63 H63 Ag6 B3 F18 N6 O2 S6
• SMILES: [Ag]1n2[n]([Ag]n3[n]([Ag]n4[n]1c1cc4CC[S](c4ccc(F)cc4)[Ag][S](CC1)c1ccc(F)cc1)c1cc3CC[S](c3ccc(F)cc3)[Ag][S](CC1)c1ccc(F)cc1)c1cc2CC[S]([Ag][S](CC1)c1ccc(F)cc1)c1ccc(F)cc1.O=C(C)C.O=C(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(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: 10.1694 ± 0.0006 Å
• b: 14.6453 ± 0.0011 Å
• c: 25.6313 ± 0.0016 Å
• α: 95.254 ± 0.005°
• β: 96.414 ± 0.005°
• γ: 104.966 ± 0.005°
• Cell volume: 3635.9 ± 0.4 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: 0.0748
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No