Information card for entry 4071961

Structure parameters

• Formula: C70 H86 Ag4 F12 N12 O4 P2
• Calculated formula: C70 H86 Ag4 F12 N12 O4 P2
• SMILES: c1c2CN3C(N(C=C3)c3c(cc(cc3C)C)C)=[Ag][n]3c4cc5CN6C(=[Ag][n](c1CN1C(N(C=C1)c1c(C)cc(cc1C)C)=[Ag]n35)n2[Ag]=C1N(C4)C=CN1c1c(cc(cc1C)C)C)N(C=C6)c1c(cc(cc1C)C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C
• Title of publication: Combining Pyrazolate and N-Heterocyclic Carbene Coordination Motifs: Synthesis and Characterization of a Double-Crowned Silver Complex
• Authors of publication: Scheele, Ulrich J.; Georgiou, Maria; John, Michael; Dechert, Sebastian; Meyer, Franc
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5146
• a: 12.5681 ± 0.0005 Å
• b: 12.9967 ± 0.0005 Å
• c: 14.3012 ± 0.0006 Å
• α: 63.361 ± 0.003°
• β: 68.893 ± 0.003°
• γ: 80.629 ± 0.003°
• Cell volume: 1947.95 ± 0.15 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No