Information card for entry 7018322

Structure parameters

• Formula: C88 H80 Au3 Cl14 F9 O9 P6 S3
• Calculated formula: C80 H66 Au3 F6 O6 P6 S2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Au][P](/C=C/[P](c2ccccc2)(c2ccccc2)[Au][P](/C=C/[P](c2ccccc2)(c2ccccc2)[Au][P](/C=C/1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F
• Title of publication: Synthesis and structures of cyclic gold complexes containing diphosphine ligands and luminescent properties of the high nuclearity species.
• Authors of publication: Bhargava, Suresh; Kitadai, Kunihiko; Masashi, Takahashi; Drumm, Daniel W.; Russo, Salvy P.; Yam, Vivian Wing-Wah; Lee, Terence Kwok-Ming; Wagler, Jörg; Mirzadeh, Nedaossadat
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 4789 - 4798
• a: 19.9108 ± 0.0002 Å
• b: 19.9108 ± 0.0002 Å
• c: 39.4563 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13546.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No