Information card for entry 4064468

Structure parameters

• Formula: C28 H36 Ag2 F12 N8 O4 P2
• Calculated formula: C28 H36 Ag2 F12 N8 O4 P2
• SMILES: CN1C2N(C=C1)[C@H]1CO[C@H]3[C@@H]1OC[C@@H]3N1C=CN(C)C1=[Ag]=C1N([C@@H]3[C@@H]4[C@@H]([C@H](CO4)N4C(N(C)C=C4)=[Ag]=2)OC3)C=CN1C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Chiral Silver and Gold Rings: Synthesis and Structural, Spectroscopic, and Photophysical Properties of Ag and Au Metallamacrocycles of Bridging NHC Ligands
• Authors of publication: Carcedo, Cristina; Knight, James C.; Pope, Simon J. A.; Fallis, Ian A.; Dervisi, Athanasia
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 2553
• a: 10.2132 ± 0.0001 Å
• b: 20.4615 ± 0.0003 Å
• c: 10.8911 ± 0.0002 Å
• α: 90°
• β: 106.504 ± 0.001°
• γ: 90°
• Cell volume: 2182.22 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No