Information card for entry 7202958

Structure parameters

• Formula: C94 H80 Au4 Cl4 F12 N4 O12 P4
• Calculated formula: C94 H80 Au4 Cl4 F12 N4 O12 P4
• SMILES: [Au]([n]1ccc(cc1)/C=C/c1cc[n]([Au][P](c2c(cccc2)[P]([Au][n]2ccc(cc2)/C=C/c2cc[n]3cc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1)[P](c1ccccc1)(c1ccccc1)c1c(cccc1)[P](c1ccccc1)(c1ccccc1)[Au]3.FC(F)(F)C(=O)[O-].FC(F)(C(=O)[O-])F.O.O.C(Cl)Cl.FC(F)(F)C(=O)[O-].FC(F)(F)C(=O)[O-].O.O.C(Cl)Cl
• Title of publication: Self-assembly of gold(i) with diphosphine and bitopic nitrogen donor linkers in the presence of trifluoroacetate anion: formation of coordination polymer versus discrete macrocycle
• Authors of publication: Deák, Andrea; Tunyogi, Tünde; Tárkányi, Gábor; Király, Péter; Pálinkás, Gábor
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 640
• a: 10.0634 ± 0.0014 Å
• b: 21.126 ± 0.003 Å
• c: 22.728 ± 0.004 Å
• α: 90°
• β: 100.424 ± 0.006°
• γ: 90°
• Cell volume: 4752.2 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0841
• 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