Information card for entry 4064467

Structure parameters

• Formula: C28 H38 Au2 F12 N8 O5 P2
• Calculated formula: C28 H38 Au2 F12 N8 O5 P2
• SMILES: C12N(C)C=CN2[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N2C(N(C)C=C2)=[Au]=C2N(C=CN2[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N2C(=[Au]=1)N(C=C2)C)C.[P](F)(F)(F)(F)(F)[F-].O.[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: 13.224 ± 0.0005 Å
• b: 17.031 ± 0.0006 Å
• c: 20.723 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4667.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 24
• Hermann-Mauguin space group symbol: I 21 21 21
• Hall space group symbol: I 2b 2c
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No