Information card for entry 4073251

Structure parameters

• Formula: C88 H72 Ag6 F36 N32 P6
• Calculated formula: C88 H72 Ag6 F36 N32 P6
• SMILES: c1cc[n]2c(c1)CN1C=CN3c4ccc(nn4)N4C=CN5Cc6cccc[n]6[Ag]6=C7N8C=CN7c7ccc(nn7)N7C=CN(C7=[Ag]=C7N(C=CN7c7ccc(nn7)N7C=CN(Cc9cccc[n]%109)C7=[Ag]2[n]2ccccc2C2)Cc7cccc[n]7[Ag](=C45)[n]4ccccc4C8)Cc4cccc[n]4[Ag]%10=C4N2C=CN4c2ccc(nn2)N2C=CN(Cc4cccc[n]64)C2=[Ag]=C13.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Structural Characterization, and Luminescence of New Silver Aggregates Containing Short Ag−Ag Contacts Stabilized by Functionalized Bis(N-heterocyclic carbene) Ligands
• Authors of publication: Liu, Bin; Chen, Wanzhi; Jin, Shouwen
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 3660
• a: 25.521 ± 0.004 Å
• b: 16.797 ± 0.003 Å
• c: 30.53 ± 0.04 Å
• α: 90°
• β: 113.76 ± 0.003°
• γ: 90°
• Cell volume: 11978 ± 16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.2212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No