Information card for entry 7007438

Structure parameters

• Formula: C23 H32 Ag F3 N8 O3 S
• Calculated formula: C23 H32 Ag F3 N8 O3 S
• SMILES: [Ag]12([n]3n(c(cc3C)C)Cn3[n]1c(cc3C)C)[n]1n(c(cc1C)C)Cn1[n]2c(cc1C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Group 11 complexes with the bis(3,5-dimethylpyrazol-1-yl)methane ligand. How secondary bonds can influence the coordination environment of Ag(I): the role of coordinated water in [Ag2(mu-L)2(OH2)2](OTf)2.
• Authors of publication: José Calhorda, Maria; Costa, Paulo J.; Crespo, Olga; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Naranjo, Mar; Quintal, Susana; Shi, Yu-Jun; Villacampa, M. Dolores
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 34
• Pages of publication: 4104 - 4113
• a: 13.8993 ± 0.0006 Å
• b: 15.486 ± 0.0006 Å
• c: 14.2529 ± 0.0006 Å
• α: 90°
• β: 112.878 ± 0.006°
• γ: 90°
• Cell volume: 2826.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0778
• 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