Information card for entry 7053421

Structure parameters

• Formula: C35 H32 Ag F3 N4 O7 S
• Calculated formula: C35 H32 Ag F3 N4 O7 S
• SMILES: [Ag]([n]1[nH]c(cc1c1ccc(OC)cc1)c1ccc(OC)cc1)[n]1[nH]c(cc1c1ccc(OC)cc1)c1ccc(OC)cc1.C(S(=O)(=O)[O-])(F)(F)F
• Title of publication: Silver pyrazole complexes with tunable liquid crystals and luminescent properties
• Authors of publication: Mayoral, María José; Ovejero, Paloma; Campo, José Antonio; Heras, José Vicente; Torres, María Rosario; Lodeiro, Carlos; Cano, Mercedes
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2766
• a: 7.8645 ± 0.0004 Å
• b: 13.3014 ± 0.0007 Å
• c: 16.7157 ± 0.0009 Å
• α: 86.066 ± 0.001°
• β: 88.383 ± 0.001°
• γ: 87.054 ± 0.001°
• Cell volume: 1741.65 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0961
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2428
• Weighted residual factors for all reflections included in the refinement: 0.2641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No